N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide

C19H27N5O — CID 127267310

IUPACN-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCN(C)CCc1ccc(NC(=O)c2cc(C3CCCN3C)[nH]n2)cc1
InChIInChI=1S/C19H27N5O/c1-23(2)12-10-14-6-8-15(9-7-14)20-19(25)17-13-16(21-22-17)18-5-4-11-24(18)3/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyRATMKWDSPJBQQS-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.53
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide

N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 127267310) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID127267310
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCN(C)CCc1ccc(NC(=O)c2cc(C3CCCN3C)[nH]n2)cc1
InChIInChI=1S/C19H27N5O/c1-23(2)12-10-14-6-8-15(9-7-14)20-19(25)17-13-16(21-22-17)18-5-4-11-24(18)3/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyRATMKWDSPJBQQS-UHFFFAOYSA-N
XLogP2.53
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 126824398
N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 167891189
N-[5-cyano-2-(ethylamino)phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166253188
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 166252628
N-[4-[2-(dimethylamino)ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 126829256
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone
CID 166253153
5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 91889053
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide (CID 127267310) is N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide is CN(C)CCc1ccc(NC(=O)c2cc(C3CCCN3C)[nH]n2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RATMKWDSPJBQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(2)12-10-14-6-8-15(9-7-14)20-19(25)17-13-16(21-22-17)18-5-4-11-24(18)3/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 127267310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).