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

C9H11N5OS — CID 64524858

IUPAC3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2cc(N)n[nH]2)cs1
InChIInChI=1S/C9H11N5OS/c1-5-12-6(4-16-5)3-11-9(15)7-2-8(10)14-13-7/h2,4H,3H2,1H3,(H,11,15)(H3,10,13,14)
InChIKeyJOQMFQIWXHWGRW-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.69
Rot. Bonds3

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

3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524858) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64524858
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2cc(N)n[nH]2)cs1
InChIInChI=1S/C9H11N5OS/c1-5-12-6(4-16-5)3-11-9(15)7-2-8(10)14-13-7/h2,4H,3H2,1H3,(H,11,15)(H3,10,13,14)
InChIKeyJOQMFQIWXHWGRW-UHFFFAOYSA-N
XLogP0.69
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524682
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 65359551
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
4-amino-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034267
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112750831
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 64524858) is 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is Cc1nc(CNC(=O)c2cc(N)n[nH]2)cs1.
What is the InChIKey of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JOQMFQIWXHWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-12-6(4-16-5)3-11-9(15)7-2-8(10)14-13-7/h2,4H,3H2,1H3,(H,11,15)(H3,10,13,14).
What are the key properties of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).