N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H25N5O2 — CID 15958107

IUPACN-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CNC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H25N5O2/c28-18-30-27(33)24-16-31-32-25(21-9-5-2-6-10-21)23(15-29-26(24)32)20-11-13-22(14-12-20)34-17-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,30,33)
InChIKeyXXTTUTAZOUWTRP-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.23
Rot. Bonds6

About N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15958107) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15958107
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CNC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H25N5O2/c28-18-30-27(33)24-16-31-32-25(21-9-5-2-6-10-21)23(15-29-26(24)32)20-11-13-22(14-12-20)34-17-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,30,33)
InChIKeyXXTTUTAZOUWTRP-UHFFFAOYSA-N
XLogP5.23
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958109
methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoate
CID 15958094
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
CID 15958097
7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957966
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960
7-cyclohexyl-6-(4-iodophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958113
(2S)-3-phenyl-2-[[6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propanoic acid
CID 58636572
N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58636570
7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958130
7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958077
7-cyclohexyl-6-[4-[(3E,5Z)-7-methylocta-3,5,7-trien-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 143439374
[6-[4-(cyclohexa-1,3-dien-1-ylmethoxy)phenyl]-7-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 142837939

Frequently Asked Questions

What is the IUPAC name of N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15958107) is N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CNC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XXTTUTAZOUWTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c28-18-30-27(33)24-16-31-32-25(21-9-5-2-6-10-21)23(15-29-26(24)32)20-11-13-22(14-12-20)34-17-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,30,33).
What are the key properties of N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).