3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide

C16H20N4O — CID 63141348

IUPAC3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCNC1
InChIInChI=1S/C16H20N4O/c1-16(7-9-17-11-16)15(21)18-10-12-2-4-13(5-3-12)14-6-8-19-20-14/h2-6,8,17H,7,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIOTVXQRAUPJUSN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds4

About 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide

3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 63141348) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID63141348
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCNC1
InChIInChI=1S/C16H20N4O/c1-16(7-9-17-11-16)15(21)18-10-12-2-4-13(5-3-12)14-6-8-19-20-14/h2-6,8,17H,7,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIOTVXQRAUPJUSN-UHFFFAOYSA-N
XLogP1.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 71893433
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63141698
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 63141348) is 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide is CC1(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCNC1.
What is the InChIKey of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is IOTVXQRAUPJUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(7-9-17-11-16)15(21)18-10-12-2-4-13(5-3-12)14-6-8-19-20-14/h2-6,8,17H,7,9-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).