(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C17H29N5O — CID 97471000

IUPAC(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H29N5O/c1-20(2)15-8-9-22(17(23)19-14-6-4-5-7-14)16(15)10-13-11-18-21(3)12-13/h11-12,14-16H,4-10H2,1-3H3,(H,19,23)/t15-,16+/m1/s1
InChIKeyKQILELNIPDFFFD-CVEARBPZSA-N
MW319.45 g/mol
LogP1.62
Rot. Bonds4

About (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97471000) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97471000
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H29N5O/c1-20(2)15-8-9-22(17(23)19-14-6-4-5-7-14)16(15)10-13-11-18-21(3)12-13/h11-12,14-16H,4-10H2,1-3H3,(H,19,23)/t15-,16+/m1/s1
InChIKeyKQILELNIPDFFFD-CVEARBPZSA-N
XLogP1.62
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 97471000) is (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is KQILELNIPDFFFD-CVEARBPZSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20(2)15-8-9-22(17(23)19-14-6-4-5-7-14)16(15)10-13-11-18-21(3)12-13/h11-12,14-16H,4-10H2,1-3H3,(H,19,23)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97471000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).