3-cyclopropyl-1-phenylpyrazol-5-amine

C12H13N3 — CID 2758010

IUPAC3-cyclopropyl-1-phenylpyrazol-5-amine
SMILESNc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C12H13N3/c13-12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
InChIKeyMLOGPNMYHQADBA-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.33
Rot. Bonds2

About 3-cyclopropyl-1-phenylpyrazol-5-amine

3-cyclopropyl-1-phenylpyrazol-5-amine (PubChem CID 2758010) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-phenylpyrazol-5-amine
PubChem CID2758010
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-cyclopropyl-1-phenylpyrazol-5-amine
SMILESNc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C12H13N3/c13-12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
InChIKeyMLOGPNMYHQADBA-UHFFFAOYSA-N
XLogP2.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
1-Phenylpyrazol-5-ylamine
CID 70006
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenylpyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-1-phenylpyrazol-5-amine (CID 2758010) is 3-cyclopropyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-1-phenylpyrazol-5-amine is Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-phenylpyrazol-5-amine?
The InChIKey is MLOGPNMYHQADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2.
What are the key properties of 3-cyclopropyl-1-phenylpyrazol-5-amine?
3-cyclopropyl-1-phenylpyrazol-5-amine has a molecular weight of 199.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 2758010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).