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

C12H15N5OS — CID 55034267

IUPAC4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2n[nH]c(C3CC3)c2N)cs1
InChIInChI=1S/C12H15N5OS/c1-6-15-8(5-19-6)4-14-12(18)11-9(13)10(16-17-11)7-2-3-7/h5,7H,2-4,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyFFQHSJIMXNHSGX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds4

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

4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 55034267) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID55034267
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2n[nH]c(C3CC3)c2N)cs1
InChIInChI=1S/C12H15N5OS/c1-6-15-8(5-19-6)4-14-12(18)11-9(13)10(16-17-11)7-2-3-7/h5,7H,2-4,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyFFQHSJIMXNHSGX-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 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 55034267) is 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1nc(CNC(=O)c2n[nH]c(C3CC3)c2N)cs1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FFQHSJIMXNHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-6-15-8(5-19-6)4-14-12(18)11-9(13)10(16-17-11)7-2-3-7/h5,7H,2-4,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-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 4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).