3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide

C21H24N4O — CID 71865708

IUPAC3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCc3ccc4ccccc4c3)C2)cn1
InChIInChI=1S/C21H24N4O/c1-24-14-18(13-23-24)10-17-8-9-25(15-17)21(26)22-12-16-6-7-19-4-2-3-5-20(19)11-16/h2-7,11,13-14,17H,8-10,12,15H2,1H3,(H,22,26)
InChIKeyFMBIBGVNANTUJL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.35
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide

3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71865708) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71865708
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCc3ccc4ccccc4c3)C2)cn1
InChIInChI=1S/C21H24N4O/c1-24-14-18(13-23-24)10-17-8-9-25(15-17)21(26)22-12-16-6-7-19-4-2-3-5-20(19)11-16/h2-7,11,13-14,17H,8-10,12,15H2,1H3,(H,22,26)
InChIKeyFMBIBGVNANTUJL-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide
CID 136511913
(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 97018836
(2S)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 136580853
(3R)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 129422396
[2-(2-methylphenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866030
3-[(1-methylpyrazol-4-yl)methyl]-N-(3-methylsulfinylphenyl)pyrrolidine-1-carboxamide
CID 71982810
[2-(3-chlorophenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866034
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 129422473
[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 98799655
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 100860601
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide (CID 71865708) is 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide is Cn1cc(CC2CCN(C(=O)NCc3ccc4ccccc4c3)C2)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is FMBIBGVNANTUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-14-18(13-23-24)10-17-8-9-25(15-17)21(26)22-12-16-6-7-19-4-2-3-5-20(19)11-16/h2-7,11,13-14,17H,8-10,12,15H2,1H3,(H,22,26).
What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide?
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).