5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C19H21N5O2S — CID 26341281

IUPAC5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)CCO)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C19H21N5O2S/c1-12-10-20-19(22-16(12)15-4-3-9-27-15)24-17(13-5-6-13)14(11-21-24)18(26)23(2)7-8-25/h3-4,9-11,13,25H,5-8H2,1-2H3
InChIKeyBVBFCWSILJWWIZ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.64
Rot. Bonds6

About 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 26341281) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID26341281
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)CCO)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C19H21N5O2S/c1-12-10-20-19(22-16(12)15-4-3-9-27-15)24-17(13-5-6-13)14(11-21-24)18(26)23(2)7-8-25/h3-4,9-11,13,25H,5-8H2,1-2H3
InChIKeyBVBFCWSILJWWIZ-UHFFFAOYSA-N
XLogP2.64
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 26341281) is 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)N(C)CCO)c2C2CC2)nc1-c1cccs1.
What is the InChIKey of 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is BVBFCWSILJWWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-10-20-19(22-16(12)15-4-3-9-27-15)24-17(13-5-6-13)14(11-21-24)18(26)23(2)7-8-25/h3-4,9-11,13,25H,5-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 26341281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).