3-amino-5-methylpyrazole-1-carboxylic acid

C5H7N3O2 — CID 21106532

IUPAC3-amino-5-methylpyrazole-1-carboxylic acid
SMILESCc1cc(N)nn1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-3-2-4(6)7-8(3)5(9)10/h2H,1H3,(H2,6,7)(H,9,10)
InChIKeyMNXBYSJEFJWYBZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.30
Rot. Bonds

About 3-amino-5-methylpyrazole-1-carboxylic acid

3-amino-5-methylpyrazole-1-carboxylic acid (PubChem CID 21106532) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-5-methylpyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-methylpyrazole-1-carboxylic acid
PubChem CID21106532
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-amino-5-methylpyrazole-1-carboxylic acid
SMILESCc1cc(N)nn1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-3-2-4(6)7-8(3)5(9)10/h2H,1H3,(H2,6,7)(H,9,10)
InChIKeyMNXBYSJEFJWYBZ-UHFFFAOYSA-N
XLogP0.30
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
tert-butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate
CID 11321537
1,5-Dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68912972
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
CID 117697827
[3-(Difluoromethyl)-1-methylpyrazol-5-yl]carbamic acid
CID 117775416
5-Amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid
CID 137375404
Tert-butyl 3-amino-5-(trifluoromethyl)pyrazole-1-carboxylate
CID 155753688
5-Amino-3-methylpyrazole-1-carboxamide
CID 296432
5-(2-Carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide
CID 12888207
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
CID 59036875
CID 59036875
6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one
CID 59945333

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylpyrazole-1-carboxylic acid?
The IUPAC name of 3-amino-5-methylpyrazole-1-carboxylic acid (CID 21106532) is 3-amino-5-methylpyrazole-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-methylpyrazole-1-carboxylic acid?
The canonical SMILES for 3-amino-5-methylpyrazole-1-carboxylic acid is Cc1cc(N)nn1C(=O)O.
What is the InChIKey of 3-amino-5-methylpyrazole-1-carboxylic acid?
The InChIKey is MNXBYSJEFJWYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-4(6)7-8(3)5(9)10/h2H,1H3,(H2,6,7)(H,9,10).
What are the key properties of 3-amino-5-methylpyrazole-1-carboxylic acid?
3-amino-5-methylpyrazole-1-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylpyrazole-1-carboxylic acid is sourced from PubChem (CID 21106532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).