5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

C20H28N6O — CID 91923194

IUPAC5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCN(C)C[C@@H]1CN(Cc2ccccn2)C[C@H]1NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H28N6O/c1-25(2)10-15-11-26(12-16-5-3-4-8-21-16)13-19(15)22-20(27)18-9-17(23-24-18)14-6-7-14/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)/t15-,19-/m1/s1
InChIKeyZXYFRGHDHAVTQA-DNVCBOLYSA-N
MW368.49 g/mol
LogP1.47
Rot. Bonds7

About 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91923194) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID91923194
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCN(C)C[C@@H]1CN(Cc2ccccn2)C[C@H]1NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H28N6O/c1-25(2)10-15-11-26(12-16-5-3-4-8-21-16)13-19(15)22-20(27)18-9-17(23-24-18)14-6-7-14/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)/t15-,19-/m1/s1
InChIKeyZXYFRGHDHAVTQA-DNVCBOLYSA-N
XLogP1.47
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 91923194) is 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is CN(C)C[C@@H]1CN(Cc2ccccn2)C[C@H]1NC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZXYFRGHDHAVTQA-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-25(2)10-15-11-26(12-16-5-3-4-8-21-16)13-19(15)22-20(27)18-9-17(23-24-18)14-6-7-14/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)/t15-,19-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91923194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).