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

C20H27N5O — CID 25265240

IUPAC5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)cc2)n[nH]1
InChIInChI=1S/C20H27N5O/c1-14-12-19(23-22-14)20(26)21-16-5-7-17(8-6-16)24-11-9-18(13-24)25-10-3-4-15(25)2/h5-8,12,15,18H,3-4,9-11,13H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyRCUFJSPQSAHGNP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.03
Rot. Bonds4

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

5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 25265240) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID25265240
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)cc2)n[nH]1
InChIInChI=1S/C20H27N5O/c1-14-12-19(23-22-14)20(26)21-16-5-7-17(8-6-16)24-11-9-18(13-24)25-10-3-4-15(25)2/h5-8,12,15,18H,3-4,9-11,13H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyRCUFJSPQSAHGNP-UHFFFAOYSA-N
XLogP3.03
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide (CID 25265240) is 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)cc2)n[nH]1.
What is the InChIKey of 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RCUFJSPQSAHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-12-19(23-22-14)20(26)21-16-5-7-17(8-6-16)24-11-9-18(13-24)25-10-3-4-15(25)2/h5-8,12,15,18H,3-4,9-11,13H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25265240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).