1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid

C10H11N5O2 — CID 140918751

IUPAC1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
SMILESCn1cc(C2CC2n2cc(C(=O)O)cn2)nn1
InChIInChI=1S/C10H11N5O2/c1-14-5-8(12-13-14)7-2-9(7)15-4-6(3-11-15)10(16)17/h3-5,7,9H,2H2,1H3,(H,16,17)
InChIKeyRDTKFIHZXXASBW-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.44
Rot. Bonds3

About 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid

1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid (PubChem CID 140918751) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
PubChem CID140918751
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
SMILESCn1cc(C2CC2n2cc(C(=O)O)cn2)nn1
InChIInChI=1S/C10H11N5O2/c1-14-5-8(12-13-14)7-2-9(7)15-4-6(3-11-15)10(16)17/h3-5,7,9H,2H2,1H3,(H,16,17)
InChIKeyRDTKFIHZXXASBW-UHFFFAOYSA-N
XLogP0.44
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602
1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
CID 84733356
3-[2-(1-methyltriazol-4-yl)cyclopropyl]-3-oxopropanal
CID 129023893
1-(trideuteriomethyl)pyrazole-4-carboxylic acid
CID 167738490
(E)-3-(dimethylamino)-2-[2-(1-methyltriazol-4-yl)cyclopropanecarbonyl]prop-2-enoic acid
CID 135343929
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138586828
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate
CID 126754002
1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid
CID 84734311
N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine
CID 130599121
1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 138038167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid (CID 140918751) is 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid is Cn1cc(C2CC2n2cc(C(=O)O)cn2)nn1.
What is the InChIKey of 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid?
The InChIKey is RDTKFIHZXXASBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-14-5-8(12-13-14)7-2-9(7)15-4-6(3-11-15)10(16)17/h3-5,7,9H,2H2,1H3,(H,16,17).
What are the key properties of 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid?
1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 140918751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).