4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid

C8H11N3O2 — CID 83696328

IUPAC4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1NC1CC1
InChIInChI=1S/C8H11N3O2/c1-4-6(9-5-2-3-5)7(8(12)13)11-10-4/h5,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyZSIFDSFPNLXGPE-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.99
Rot. Bonds3

About 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid

4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 83696328) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID83696328
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1NC1CC1
InChIInChI=1S/C8H11N3O2/c1-4-6(9-5-2-3-5)7(8(12)13)11-10-4/h5,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyZSIFDSFPNLXGPE-UHFFFAOYSA-N
XLogP0.99
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine
CID 65070307
4-(3-fluoropropoxycarbonylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 136562108
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107216292
acetonitrile;4,5-dimethyl-1H-pyrazole-3-carboxylic acid
CID 158748377
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid
CID 112711602
1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
CID 82372744
3-(cyclopropylamino)-2-methyl-4-methylsulfonylbenzoic acid
CID 57424945
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 113406538
N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 114698094

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid (CID 83696328) is 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is ZSIFDSFPNLXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6(9-5-2-3-5)7(8(12)13)11-10-4/h5,9H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 83696328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).