3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide

C22H24N4O2 — CID 70750973

IUPAC3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(N4CCCC4)c3)[nH]n2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-9-7-17(8-10-19)20-14-21(25-24-20)22(27)23-15-16-5-4-6-18(13-16)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyLSBRKCGKGQHURF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.62
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 70750973) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID70750973
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(N4CCCC4)c3)[nH]n2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-9-7-17(8-10-19)20-14-21(25-24-20)22(27)23-15-16-5-4-6-18(13-16)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyLSBRKCGKGQHURF-UHFFFAOYSA-N
XLogP3.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
3-(4-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 46978105
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161
N-[(3-bromophenyl)methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856990
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 70750973) is 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(N4CCCC4)c3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LSBRKCGKGQHURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-9-7-17(8-10-19)20-14-21(25-24-20)22(27)23-15-16-5-4-6-18(13-16)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70750973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).