1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine

C14H16FN3 — CID 134439969

IUPAC1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine
SMILESCc1c(N)nn(CC2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c1-9-13(11-4-6-12(15)7-5-11)18(17-14(9)16)8-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,16,17)
InChIKeyQZGIUCIXIIKVQX-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.99
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine

1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine (PubChem CID 134439969) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine
PubChem CID134439969
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine
SMILESCc1c(N)nn(CC2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c1-9-13(11-4-6-12(15)7-5-11)18(17-14(9)16)8-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,16,17)
InChIKeyQZGIUCIXIIKVQX-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine (CID 134439969) is 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine is Cc1c(N)nn(CC2CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine?
The InChIKey is QZGIUCIXIIKVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-13(11-4-6-12(15)7-5-11)18(17-14(9)16)8-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,16,17).
What are the key properties of 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine?
1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine has a molecular weight of 245.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 134439969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).