N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

C21H26ClN5O2 — CID 137251745

IUPACN,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1N(C)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C21H25N5O2.ClH/c1-13-6-4-5-7-16(13)25(3)21(28)19-14(2)24-26-17(12-18(27)23-20(19)26)15-8-10-22-11-9-15;/h4-7,12,15,22H,8-11H2,1-3H3,(H,23,27);1H
InChIKeyYVPZYSJTTIVKFN-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.80
Rot. Bonds3

About N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 137251745) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID137251745
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC NameN,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1N(C)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C21H25N5O2.ClH/c1-13-6-4-5-7-16(13)25(3)21(28)19-14(2)24-26-17(12-18(27)23-20(19)26)15-8-10-22-11-9-15;/h4-7,12,15,22H,8-11H2,1-3H3,(H,23,27);1H
InChIKeyYVPZYSJTTIVKFN-UHFFFAOYSA-N
XLogP2.80
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983736
2-(4-Methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983740
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
CID 121373033
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 135753057
2,7,7-trimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136030615
(5S)-2,7,7-trimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136141564
(5R)-N-[3-(4-ethylphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136188837
(5R)-2,7,7-trimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136192901
2-(4-Fluorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983741

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (CID 137251745) is N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccccc1N(C)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
What is the InChIKey of N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is YVPZYSJTTIVKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.ClH/c1-13-6-4-5-7-16(13)25(3)21(28)19-14(2)24-26-17(12-18(27)23-20(19)26)15-8-10-22-11-9-15;/h4-7,12,15,22H,8-11H2,1-3H3,(H,23,27);1H.
What are the key properties of N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 137251745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).