N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H39N5O3 — CID 50756645

IUPACN-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCN(CC)CCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C27H39N5O3/c1-5-30(6-2)16-17-31-25(33)24-18-23(20-12-14-22(35-4)15-13-20)29-32(24)19-27(31,3)26(34)28-21-10-8-7-9-11-21/h12-15,18,21H,5-11,16-17,19H2,1-4H3,(H,28,34)
InChIKeySNKLFOCAXXLEOA-UHFFFAOYSA-N
MW481.64 g/mol
LogP3.56
Rot. Bonds9

About N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756645) has the molecular formula C27H39N5O3 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756645
Molecular FormulaC27H39N5O3
Molecular Weight481.64 g/mol
Exact Mass481.31
IUPAC NameN-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCN(CC)CCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C27H39N5O3/c1-5-30(6-2)16-17-31-25(33)24-18-23(20-12-14-22(35-4)15-13-20)29-32(24)19-27(31,3)26(34)28-21-10-8-7-9-11-21/h12-15,18,21H,5-11,16-17,19H2,1-4H3,(H,28,34)
InChIKeySNKLFOCAXXLEOA-UHFFFAOYSA-N
XLogP3.56
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738915
N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522429
(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738963
N-cyclohexyl-2-(4-ethylphenyl)-5-(2-methoxyethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172105
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738954
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738944
(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738971
(6S)-N-cycloheptyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(3-propan-2-yloxypropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739033
(6R)-N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(3-propan-2-yloxypropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738905
N-cyclooctyl-5-cyclopentyl-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522444
(6S)-N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738910
(6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738974

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756645) is N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCN(CC)CCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SNKLFOCAXXLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O3/c1-5-30(6-2)16-17-31-25(33)24-18-23(20-12-14-22(35-4)15-13-20)29-32(24)19-27(31,3)26(34)28-21-10-8-7-9-11-21/h12-15,18,21H,5-11,16-17,19H2,1-4H3,(H,28,34).
What are the key properties of N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).