3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C16H20N4O — CID 102779045

IUPAC3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H20N4O/c1-11-6-8-17-15(11)16(21)18-10-12-2-4-13(5-3-12)14-7-9-19-20-14/h2-5,7,9,11,15,17H,6,8,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyIJNYKZLDCDLNLP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds4

About 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 102779045) 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-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID102779045
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H20N4O/c1-11-6-8-17-15(11)16(21)18-10-12-2-4-13(5-3-12)14-7-9-19-20-14/h2-5,7,9,11,15,17H,6,8,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyIJNYKZLDCDLNLP-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 102779045) is 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is IJNYKZLDCDLNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-8-17-15(11)16(21)18-10-12-2-4-13(5-3-12)14-7-9-19-20-14/h2-5,7,9,11,15,17H,6,8,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-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-2-carboxamide is sourced from PubChem (CID 102779045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).