5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine

C16H19F2N3 — CID 61496781

IUPAC5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCCCC2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H19F2N3/c17-12-7-11(8-13(18)9-12)15-14(20-21-16(15)19)6-10-4-2-1-3-5-10/h7-10H,1-6H2,(H3,19,20,21)
InChIKeyHGMMZNIMQBTSOY-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.06
Rot. Bonds3

About 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine

5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine (PubChem CID 61496781) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
PubChem CID61496781
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCCCC2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H19F2N3/c17-12-7-11(8-13(18)9-12)15-14(20-21-16(15)19)6-10-4-2-1-3-5-10/h7-10H,1-6H2,(H3,19,20,21)
InChIKeyHGMMZNIMQBTSOY-UHFFFAOYSA-N
XLogP4.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine (CID 61496781) is 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(CC2CCCCC2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is HGMMZNIMQBTSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-12-7-11(8-13(18)9-12)15-14(20-21-16(15)19)6-10-4-2-1-3-5-10/h7-10H,1-6H2,(H3,19,20,21).
What are the key properties of 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine?
5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 291.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61496781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).