N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide

C12H15N5OS — CID 131910961

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCc1csc(N)n1
InChIInChI=1S/C12H15N5OS/c1-6-9(10(17-16-6)7-2-3-7)11(18)14-4-8-5-19-12(13)15-8/h5,7H,2-4H2,1H3,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyAVIYFPFFUMNALI-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 131910961) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID131910961
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCc1csc(N)n1
InChIInChI=1S/C12H15N5OS/c1-6-9(10(17-16-6)7-2-3-7)11(18)14-4-8-5-19-12(13)15-8/h5,7H,2-4H2,1H3,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyAVIYFPFFUMNALI-UHFFFAOYSA-N
XLogP1.56
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide (CID 131910961) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C2CC2)c1C(=O)NCc1csc(N)n1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is AVIYFPFFUMNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-6-9(10(17-16-6)7-2-3-7)11(18)14-4-8-5-19-12(13)15-8/h5,7H,2-4H2,1H3,(H2,13,15)(H,14,18)(H,16,17).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 131910961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).