(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide

C16H26N4O — CID 164639192

IUPAC(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1ccc(CNC(=O)N2CC[C@H](CC3CC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)20-8-6-15(18-20)10-17-16(21)19-7-5-14(11-19)9-13-3-4-13/h6,8,12-14H,3-5,7,9-11H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyIGWQBHVJDAZTFG-CQSZACIVSA-N
MW290.41 g/mol
LogP2.80
Rot. Bonds5

About (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide

(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 164639192) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID164639192
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1ccc(CNC(=O)N2CC[C@H](CC3CC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)20-8-6-15(18-20)10-17-16(21)19-7-5-14(11-19)9-13-3-4-13/h6,8,12-14H,3-5,7,9-11H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyIGWQBHVJDAZTFG-CQSZACIVSA-N
XLogP2.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide (CID 164639192) is (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide is CC(C)n1ccc(CNC(=O)N2CC[C@H](CC3CC3)C2)n1.
What is the InChIKey of (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is IGWQBHVJDAZTFG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)20-8-6-15(18-20)10-17-16(21)19-7-5-14(11-19)9-13-3-4-13/h6,8,12-14H,3-5,7,9-11H2,1-2H3,(H,17,21)/t14-/m1/s1.
What are the key properties of (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).