N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride

C19H25ClN4O — CID 154895225

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ccccc1C1CCNC1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-23(12-15-10-18(22-21-15)13-6-7-13)19(24)17-5-3-2-4-16(17)14-8-9-20-11-14;/h2-5,10,13-14,20H,6-9,11-12H2,1H3,(H,21,22);1H
InChIKeyRNWHDLNXDOFFQV-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.06
Rot. Bonds5

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 154895225) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID154895225
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ccccc1C1CCNC1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-23(12-15-10-18(22-21-15)13-6-7-13)19(24)17-5-3-2-4-16(17)14-8-9-20-11-14;/h2-5,10,13-14,20H,6-9,11-12H2,1H3,(H,21,22);1H
InChIKeyRNWHDLNXDOFFQV-UHFFFAOYSA-N
XLogP3.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
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N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
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N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide
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5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
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CID 50984517
N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
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2-cyclopropyl-N,N-dimethylbenzamide
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1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea
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N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride (CID 154895225) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride is CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ccccc1C1CCNC1.Cl.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is RNWHDLNXDOFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-23(12-15-10-18(22-21-15)13-6-7-13)19(24)17-5-3-2-4-16(17)14-8-9-20-11-14;/h2-5,10,13-14,20H,6-9,11-12H2,1H3,(H,21,22);1H.
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 154895225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).