N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

C14H17F2N3O — CID 43547173

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-8(17-13-9(2)18-19-10(13)3)11-4-6-12(7-5-11)20-14(15)16/h4-8,14,17H,1-3H3,(H,18,19)
InChIKeyIKDMUJMYGWISDK-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.80
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547173) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547173
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-8(17-13-9(2)18-19-10(13)3)11-4-6-12(7-5-11)20-14(15)16/h4-8,14,17H,1-3H3,(H,18,19)
InChIKeyIKDMUJMYGWISDK-UHFFFAOYSA-N
XLogP3.80
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547173) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is IKDMUJMYGWISDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-8(17-13-9(2)18-19-10(13)3)11-4-6-12(7-5-11)20-14(15)16/h4-8,14,17H,1-3H3,(H,18,19).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 281.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).