N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride

C12H15ClN6O — CID 119328811

IUPACN-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(-c2ncccn2)c1)C1CCCN1
InChIInChI=1S/C12H14N6O.ClH/c19-11(10-3-1-4-13-10)17-9-7-16-18(8-9)12-14-5-2-6-15-12;/h2,5-8,10,13H,1,3-4H2,(H,17,19);1H
InChIKeyCCKOSJDUKBZAJB-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.77
Rot. Bonds3

About N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119328811) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119328811
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC NameN-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(-c2ncccn2)c1)C1CCCN1
InChIInChI=1S/C12H14N6O.ClH/c19-11(10-3-1-4-13-10)17-9-7-16-18(8-9)12-14-5-2-6-15-12;/h2,5-8,10,13H,1,3-4H2,(H,17,19);1H
InChIKeyCCKOSJDUKBZAJB-UHFFFAOYSA-N
XLogP0.77
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119319470
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43426246
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride
CID 119792908
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61163094

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119328811) is N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(-c2ncccn2)c1)C1CCCN1.
What is the InChIKey of N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CCKOSJDUKBZAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O.ClH/c19-11(10-3-1-4-13-10)17-9-7-16-18(8-9)12-14-5-2-6-15-12;/h2,5-8,10,13H,1,3-4H2,(H,17,19);1H.
What are the key properties of N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119328811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).