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

C10H13N5OS — CID 64525434

IUPAC3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(N)n[nH]2)cs1
InChIInChI=1S/C10H13N5OS/c1-6-12-7(5-17-6)4-15(2)10(16)8-3-9(11)14-13-8/h3,5H,4H2,1-2H3,(H3,11,13,14)
InChIKeyJPSSWWFPVULLIY-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.03
Rot. Bonds3

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

3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525434) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64525434
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(N)n[nH]2)cs1
InChIInChI=1S/C10H13N5OS/c1-6-12-7(5-17-6)4-15(2)10(16)8-3-9(11)14-13-8/h3,5H,4H2,1-2H3,(H3,11,13,14)
InChIKeyJPSSWWFPVULLIY-UHFFFAOYSA-N
XLogP1.03
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
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
4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55041466
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 86853852

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 64525434) is 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is Cc1nc(CN(C)C(=O)c2cc(N)n[nH]2)cs1.
What is the InChIKey of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JPSSWWFPVULLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-12-7(5-17-6)4-15(2)10(16)8-3-9(11)14-13-8/h3,5H,4H2,1-2H3,(H3,11,13,14).
What are the key properties of 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).