N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C14H18N4O — CID 145030372

IUPACN-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC1CCC[C@H](NC(=O)c2ccn3nccc3n2)C1
InChIInChI=1S/C14H18N4O/c1-10-3-2-4-11(9-10)16-14(19)12-6-8-18-13(17-12)5-7-15-18/h5-8,10-11H,2-4,9H2,1H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyZMRNYVFFDJKEOP-DTIOYNMSSA-N
MW258.32 g/mol
LogP2.04
Rot. Bonds2

About N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 145030372) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID145030372
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC1CCC[C@H](NC(=O)c2ccn3nccc3n2)C1
InChIInChI=1S/C14H18N4O/c1-10-3-2-4-11(9-10)16-14(19)12-6-8-18-13(17-12)5-7-15-18/h5-8,10-11H,2-4,9H2,1H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyZMRNYVFFDJKEOP-DTIOYNMSSA-N
XLogP2.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181626
6-(2-Chloroethyl)-2-[(2,6-dimethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 4986508
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181625
5-[[(1S,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181624
US10155765, Example 22
CID 122515235
US9649308, Example 21
CID 122540837
N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978661
2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide
CID 156885923
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
US10155765, Example 26
CID 122515243
US10155765, Example 13
CID 122515256
US10155765, Example 16
CID 122540786

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 145030372) is N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC1CCC[C@H](NC(=O)c2ccn3nccc3n2)C1.
What is the InChIKey of N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ZMRNYVFFDJKEOP-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-2-4-11(9-10)16-14(19)12-6-8-18-13(17-12)5-7-15-18/h5-8,10-11H,2-4,9H2,1H3,(H,16,19)/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 145030372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).