4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine

C15H17F2N3O — CID 107001697

IUPAC4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCC1(C)CC1c1[nH]nc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N3O/c1-15(2)7-10(15)12-11(13(18)20-19-12)8-3-5-9(6-4-8)21-14(16)17/h3-6,10,14H,7H2,1-2H3,(H3,18,19,20)
InChIKeyOPIRSEOZNRLPQH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.77
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine

4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (PubChem CID 107001697) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
PubChem CID107001697
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCC1(C)CC1c1[nH]nc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N3O/c1-15(2)7-10(15)12-11(13(18)20-19-12)8-3-5-9(6-4-8)21-14(16)17/h3-6,10,14H,7H2,1-2H3,(H3,18,19,20)
InChIKeyOPIRSEOZNRLPQH-UHFFFAOYSA-N
XLogP3.77
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (CID 107001697) is 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is CC1(C)CC1c1[nH]nc(N)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The InChIKey is OPIRSEOZNRLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-15(2)7-10(15)12-11(13(18)20-19-12)8-3-5-9(6-4-8)21-14(16)17/h3-6,10,14H,7H2,1-2H3,(H3,18,19,20).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine has a molecular weight of 293.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107001697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).