3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide

C21H25N5O — CID 70755650

IUPAC3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC(CN2CCCC2)c2ccccc2)[nH]n1
InChIInChI=1S/C21H25N5O/c1-25-11-7-10-20(25)17-14-18(24-23-17)21(27)22-19(15-26-12-5-6-13-26)16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,22,27)(H,23,24)
InChIKeyPYKTUGZAJKFYGZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.98
Rot. Bonds6

About 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide

3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 70755650) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID70755650
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC(CN2CCCC2)c2ccccc2)[nH]n1
InChIInChI=1S/C21H25N5O/c1-25-11-7-10-20(25)17-14-18(24-23-17)21(27)22-19(15-26-12-5-6-13-26)16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,22,27)(H,23,24)
InChIKeyPYKTUGZAJKFYGZ-UHFFFAOYSA-N
XLogP2.98
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (CID 70755650) is 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NC(CN2CCCC2)c2ccccc2)[nH]n1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PYKTUGZAJKFYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-11-7-10-20(25)17-14-18(24-23-17)21(27)22-19(15-26-12-5-6-13-26)16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70755650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).