3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H22ClN5O2 — CID 99961088

IUPAC3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCN3CCCC[C@@H]3CO)nn2c1
InChIInChI=1S/C16H22ClN5O2/c1-11-8-19-15-13(17)14(20-22(15)9-11)16(24)18-5-7-21-6-3-2-4-12(21)10-23/h8-9,12,23H,2-7,10H2,1H3,(H,18,24)/t12-/m1/s1
InChIKeyJEVRPTNCIFYHOA-GFCCVEGCSA-N
MW351.84 g/mol
LogP1.27
Rot. Bonds5

About 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 99961088) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID99961088
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCN3CCCC[C@@H]3CO)nn2c1
InChIInChI=1S/C16H22ClN5O2/c1-11-8-19-15-13(17)14(20-22(15)9-11)16(24)18-5-7-21-6-3-2-4-12(21)10-23/h8-9,12,23H,2-7,10H2,1H3,(H,18,24)/t12-/m1/s1
InChIKeyJEVRPTNCIFYHOA-GFCCVEGCSA-N
XLogP1.27
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[cis-4-(cyclopropylmethoxy)tetrahydro-2H-pyran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91791233
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95137677
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 95722359
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99943078
3-chloro-N-ethyl-N-[trans-4-hydroxytetrahydrofuran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
3-Chloro-6-methyl-2-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrazolo[1,5-a]pyrimidine
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3-Chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 77093626
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95476978
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95476981
8-[(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50976197
6-(2-hydroxyethyl)-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56759726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 99961088) is 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)NCCN3CCCC[C@@H]3CO)nn2c1.
What is the InChIKey of 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JEVRPTNCIFYHOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-11-8-19-15-13(17)14(20-22(15)9-11)16(24)18-5-7-21-6-3-2-4-12(21)10-23/h8-9,12,23H,2-7,10H2,1H3,(H,18,24)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 99961088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).