1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide

C24H27FN4O2 — CID 42940079

IUPAC1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cnn(-c3ccccc3F)c2C)N2CCCC2)c1
InChIInChI=1S/C24H27FN4O2/c1-17-20(15-27-29(17)22-11-4-3-10-21(22)25)24(30)26-16-23(28-12-5-6-13-28)18-8-7-9-19(14-18)31-2/h3-4,7-11,14-15,23H,5-6,12-13,16H2,1-2H3,(H,26,30)
InChIKeyYDZPDTPNLKDNBF-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.90
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 42940079) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide
PubChem CID42940079
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cnn(-c3ccccc3F)c2C)N2CCCC2)c1
InChIInChI=1S/C24H27FN4O2/c1-17-20(15-27-29(17)22-11-4-3-10-21(22)25)24(30)26-16-23(28-12-5-6-13-28)18-8-7-9-19(14-18)31-2/h3-4,7-11,14-15,23H,5-6,12-13,16H2,1-2H3,(H,26,30)
InChIKeyYDZPDTPNLKDNBF-UHFFFAOYSA-N
XLogP3.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 42945536
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46446838
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 46536982
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
CID 30695715
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
CID 4067165
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
5-methoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzamide
CID 47879332
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide (CID 42940079) is 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide is COc1cccc(C(CNC(=O)c2cnn(-c3ccccc3F)c2C)N2CCCC2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is YDZPDTPNLKDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-17-20(15-27-29(17)22-11-4-3-10-21(22)25)24(30)26-16-23(28-12-5-6-13-28)18-8-7-9-19(14-18)31-2/h3-4,7-11,14-15,23H,5-6,12-13,16H2,1-2H3,(H,26,30).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 42940079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).