3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide

C10H12N4OS — CID 61139058

IUPAC3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1sccc1N
InChIInChI=1S/C10H12N4OS/c1-6-7(5-13-14-6)4-12-10(15)9-8(11)2-3-16-9/h2-3,5H,4,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyVOQWDBWVHZIXPB-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide

3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 61139058) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID61139058
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1sccc1N
InChIInChI=1S/C10H12N4OS/c1-6-7(5-13-14-6)4-12-10(15)9-8(11)2-3-16-9/h2-3,5H,4,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyVOQWDBWVHZIXPB-UHFFFAOYSA-N
XLogP1.29
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 103542950
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 61022281
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 61140004
3-amino-2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 107120776
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81420789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 61139058) is 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is VOQWDBWVHZIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-7(5-13-14-6)4-12-10(15)9-8(11)2-3-16-9/h2-3,5H,4,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide?
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61139058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).