N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide

C21H23N5OS — CID 134328405

IUPACN-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(N3CCCC3)s2)c1
InChIInChI=1S/C21H23N5OS/c1-14-4-5-15(20(27)24-17-6-7-17)10-18(14)16-11-23-26(13-16)19-12-22-21(28-19)25-8-2-3-9-25/h4-5,10-13,17H,2-3,6-9H2,1H3,(H,24,27)
InChIKeyODOIPJCQUVNYSO-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.80
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 134328405) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID134328405
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(N3CCCC3)s2)c1
InChIInChI=1S/C21H23N5OS/c1-14-4-5-15(20(27)24-17-6-7-17)10-18(14)16-11-23-26(13-16)19-12-22-21(28-19)25-8-2-3-9-25/h4-5,10-13,17H,2-3,6-9H2,1H3,(H,24,27)
InChIKeyODOIPJCQUVNYSO-UHFFFAOYSA-N
XLogP3.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (CID 134328405) is N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(N3CCCC3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is ODOIPJCQUVNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-14-4-5-15(20(27)24-17-6-7-17)10-18(14)16-11-23-26(13-16)19-12-22-21(28-19)25-8-2-3-9-25/h4-5,10-13,17H,2-3,6-9H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 393.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).