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

C19H25N5O — CID 25265235

IUPACN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3cn[nH]c3)cc2)C1
InChIInChI=1S/C19H25N5O/c1-14-3-2-9-24(14)18-8-10-23(13-18)17-6-4-16(5-7-17)22-19(25)15-11-20-21-12-15/h4-7,11-12,14,18H,2-3,8-10,13H2,1H3,(H,20,21)(H,22,25)
InChIKeyBKJXXWZRHKJOAA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds4

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

N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 25265235) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID25265235
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3cn[nH]c3)cc2)C1
InChIInChI=1S/C19H25N5O/c1-14-3-2-9-24(14)18-8-10-23(13-18)17-6-4-16(5-7-17)22-19(25)15-11-20-21-12-15/h4-7,11-12,14,18H,2-3,8-10,13H2,1H3,(H,20,21)(H,22,25)
InChIKeyBKJXXWZRHKJOAA-UHFFFAOYSA-N
XLogP2.72
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
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 N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide (CID 25265235) is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide is CC1CCCN1C1CCN(c2ccc(NC(=O)c3cn[nH]c3)cc2)C1.
What is the InChIKey of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BKJXXWZRHKJOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-3-2-9-24(14)18-8-10-23(13-18)17-6-4-16(5-7-17)22-19(25)15-11-20-21-12-15/h4-7,11-12,14,18H,2-3,8-10,13H2,1H3,(H,20,21)(H,22,25).
What are the key properties of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide?
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25265235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).