N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H31N5O2 — CID 95716198

IUPACN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C21H31N5O2/c27-10-8-17-11-22-20-19(12-23-26(20)14-17)21(28)24-18-7-4-9-25(15-18)13-16-5-2-1-3-6-16/h11-12,14,16,18,27H,1-10,13,15H2,(H,24,28)/t18-/m0/s1
InChIKeyLAUNXJNBJDCVKA-SFHVURJKSA-N
MW385.51 g/mol
LogP2.04
Rot. Bonds6

About N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95716198) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95716198
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C21H31N5O2/c27-10-8-17-11-22-20-19(12-23-26(20)14-17)21(28)24-18-7-4-9-25(15-18)13-16-5-2-1-3-6-16/h11-12,14,16,18,27H,1-10,13,15H2,(H,24,28)/t18-/m0/s1
InChIKeyLAUNXJNBJDCVKA-SFHVURJKSA-N
XLogP2.04
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95398964
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 45196321
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 58056251
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 95206897
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 42592717
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
6-(2-hydroxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74233515
6-(diethylaminomethyl)-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95716198) is N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cnn2cc(CCO)cnc12.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LAUNXJNBJDCVKA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N5O2/c27-10-8-17-11-22-20-19(12-23-26(20)14-17)21(28)24-18-7-4-9-25(15-18)13-16-5-2-1-3-6-16/h11-12,14,16,18,27H,1-10,13,15H2,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95716198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).