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

C9H11N5OS — CID 64524682

IUPAC3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(N)n[nH]2)s1
InChIInChI=1S/C9H11N5OS/c1-5-11-3-6(16-5)4-12-9(15)7-2-8(10)14-13-7/h2-3H,4H2,1H3,(H,12,15)(H3,10,13,14)
InChIKeyQARJHDSSLSHIPA-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.69
Rot. Bonds3

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

3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524682) 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-5-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64524682
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(N)n[nH]2)s1
InChIInChI=1S/C9H11N5OS/c1-5-11-3-6(16-5)4-12-9(15)7-2-8(10)14-13-7/h2-3H,4H2,1H3,(H,12,15)(H3,10,13,14)
InChIKeyQARJHDSSLSHIPA-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-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
6-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035828
3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91772420
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 86836262
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (CID 64524682) is 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is Cc1ncc(CNC(=O)c2cc(N)n[nH]2)s1.
What is the InChIKey of 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QARJHDSSLSHIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-11-3-6(16-5)4-12-9(15)7-2-8(10)14-13-7/h2-3H,4H2,1H3,(H,12,15)(H3,10,13,14).
What are the key properties of 3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(2-methyl-1,3-thiazol-5-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-5-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).