N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride

C16H25ClN6O — CID 119538066

IUPACN-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCC2CCNC2)[nH]n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-10-15(11(2)22(3)21-10)13-8-14(20-19-13)16(23)18-7-5-12-4-6-17-9-12;/h8,12,17H,4-7,9H2,1-3H3,(H,18,23)(H,19,20);1H
InChIKeyNQSGZXSRHHDLMN-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.58
Rot. Bonds5

About N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119538066) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119538066
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCC2CCNC2)[nH]n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-10-15(11(2)22(3)21-10)13-8-14(20-19-13)16(23)18-7-5-12-4-6-17-9-12;/h8,12,17H,4-7,9H2,1-3H3,(H,18,23)(H,19,20);1H
InChIKeyNQSGZXSRHHDLMN-UHFFFAOYSA-N
XLogP1.58
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119538066) is N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride is Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2CCNC2)[nH]n1.Cl.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is NQSGZXSRHHDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-10-15(11(2)22(3)21-10)13-8-14(20-19-13)16(23)18-7-5-12-4-6-17-9-12;/h8,12,17H,4-7,9H2,1-3H3,(H,18,23)(H,19,20);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119538066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).