(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C10H17ClN4O — CID 119304111

IUPAC(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(CNC(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C10H16N4O.ClH/c1-14-7-8(6-13-14)5-12-10(15)9-3-2-4-11-9;/h6-7,9,11H,2-5H2,1H3,(H,12,15);1H/t9-;/m0./s1
InChIKeyNLWGKHWZKHMKPQ-FVGYRXGTSA-N
MW244.73 g/mol
LogP0.21
Rot. Bonds3

About (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119304111) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119304111
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(CNC(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C10H16N4O.ClH/c1-14-7-8(6-13-14)5-12-10(15)9-3-2-4-11-9;/h6-7,9,11H,2-5H2,1H3,(H,12,15);1H/t9-;/m0./s1
InChIKeyNLWGKHWZKHMKPQ-FVGYRXGTSA-N
XLogP0.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304104
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119304111) is (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.Cn1cc(CNC(=O)[C@@H]2CCCN2)cn1.
What is the InChIKey of (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is NLWGKHWZKHMKPQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-14-7-8(6-13-14)5-12-10(15)9-3-2-4-11-9;/h6-7,9,11H,2-5H2,1H3,(H,12,15);1H/t9-;/m0./s1.
What are the key properties of (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119304111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).