N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide

C26H34N4O4 — CID 45200035

IUPACN-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N(CC3CCC3)CC3CCCO3)cc2)c1)C1CCOCC1
InChIInChI=1S/C26H34N4O4/c31-25(20-10-13-33-14-11-20)28-22-15-27-30(17-22)23-8-6-21(7-9-23)26(32)29(16-19-3-1-4-19)18-24-5-2-12-34-24/h6-9,15,17,19-20,24H,1-5,10-14,16,18H2,(H,28,31)
InChIKeyQKCOJJKWVSASAE-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.66
Rot. Bonds8

About N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide

N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide (PubChem CID 45200035) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
PubChem CID45200035
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N(CC3CCC3)CC3CCCO3)cc2)c1)C1CCOCC1
InChIInChI=1S/C26H34N4O4/c31-25(20-10-13-33-14-11-20)28-22-15-27-30(17-22)23-8-6-21(7-9-23)26(32)29(16-19-3-1-4-19)18-24-5-2-12-34-24/h6-9,15,17,19-20,24H,1-5,10-14,16,18H2,(H,28,31)
InChIKeyQKCOJJKWVSASAE-UHFFFAOYSA-N
XLogP3.66
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 42362452
1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea
CID 71861211
N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 42437402
(3S)-N-[1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
CID 42439723
N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide
CID 126466386
N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97147899
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74234326
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 63044481
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide (CID 45200035) is N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide is O=C(Nc1cnn(-c2ccc(C(=O)N(CC3CCC3)CC3CCCO3)cc2)c1)C1CCOCC1.
What is the InChIKey of N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
The InChIKey is QKCOJJKWVSASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c31-25(20-10-13-33-14-11-20)28-22-15-27-30(17-22)23-8-6-21(7-9-23)26(32)29(16-19-3-1-4-19)18-24-5-2-12-34-24/h6-9,15,17,19-20,24H,1-5,10-14,16,18H2,(H,28,31).
What are the key properties of N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 45200035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).