N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H17N5O3S — CID 167922189

IUPACN-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC1(CS(=O)(=O)NC(=O)c2cnn3cccnc23)CCCCC1
InChIInChI=1S/C15H17N5O3S/c16-10-15(5-2-1-3-6-15)11-24(22,23)19-14(21)12-9-18-20-8-4-7-17-13(12)20/h4,7-9H,1-3,5-6,11H2,(H,19,21)
InChIKeyMXPGAJYFIAKFEM-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.26
Rot. Bonds4

About N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167922189) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167922189
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC1(CS(=O)(=O)NC(=O)c2cnn3cccnc23)CCCCC1
InChIInChI=1S/C15H17N5O3S/c16-10-15(5-2-1-3-6-15)11-24(22,23)19-14(21)12-9-18-20-8-4-7-17-13(12)20/h4,7-9H,1-3,5-6,11H2,(H,19,21)
InChIKeyMXPGAJYFIAKFEM-UHFFFAOYSA-N
XLogP1.26
TPSA117.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 146136440
N-[1-(1-adamantyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414537
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2229662
N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166255196
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136567610
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
3-fluoro-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259369
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-[4-[5-chloro-2-(difluoromethoxy)phenyl]-2-[4-[2-(1-cyanocyclohexyl)ethylamino]piperidin-1-yl]-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126707810
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110097965

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167922189) is N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CC1(CS(=O)(=O)NC(=O)c2cnn3cccnc23)CCCCC1.
What is the InChIKey of N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MXPGAJYFIAKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c16-10-15(5-2-1-3-6-15)11-24(22,23)19-14(21)12-9-18-20-8-4-7-17-13(12)20/h4,7-9H,1-3,5-6,11H2,(H,19,21).
What are the key properties of N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167922189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).