N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H26N4O2 — CID 3422822

IUPACN-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCC2)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C22H26N4O2/c1-15-20(16-9-5-3-6-10-16)21-23-13-18(19(14-28-2)26(21)25-15)22(27)24-17-11-7-4-8-12-17/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,24,27)
InChIKeySDRTUFRQHNWCKN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.91
Rot. Bonds5

About N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3422822) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3422822
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCC2)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C22H26N4O2/c1-15-20(16-9-5-3-6-10-16)21-23-13-18(19(14-28-2)26(21)25-15)22(27)24-17-11-7-4-8-12-17/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,24,27)
InChIKeySDRTUFRQHNWCKN-UHFFFAOYSA-N
XLogP3.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3901149
N-cyclopropyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811868
N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4562038
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4024125
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049
7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4988814
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
(2,6-dimethylmorpholin-4-yl)-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3603837
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3422822) is N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COCc1c(C(=O)NC2CCCCC2)cnc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SDRTUFRQHNWCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-20(16-9-5-3-6-10-16)21-23-13-18(19(14-28-2)26(21)25-15)22(27)24-17-11-7-4-8-12-17/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3422822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).