N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine

C14H21F2N5 — CID 122167670

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
SMILESCC(C)Cn1cc(CNCc2cnn(CC(F)F)c2)cn1
InChIInChI=1S/C14H21F2N5/c1-11(2)7-20-8-12(5-18-20)3-17-4-13-6-19-21(9-13)10-14(15)16/h5-6,8-9,11,14,17H,3-4,7,10H2,1-2H3
InChIKeySATOCVVEAGJRKC-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.29
Rot. Bonds8

About N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine (PubChem CID 122167670) has the molecular formula C14H21F2N5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
PubChem CID122167670
Molecular FormulaC14H21F2N5
Molecular Weight297.35 g/mol
Exact Mass297.18
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
SMILESCC(C)Cn1cc(CNCc2cnn(CC(F)F)c2)cn1
InChIInChI=1S/C14H21F2N5/c1-11(2)7-20-8-12(5-18-20)3-17-4-13-6-19-21(9-13)10-14(15)16/h5-6,8-9,11,14,17H,3-4,7,10H2,1-2H3
InChIKeySATOCVVEAGJRKC-UHFFFAOYSA-N
XLogP2.29
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine (CID 122167670) is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine is CC(C)Cn1cc(CNCc2cnn(CC(F)F)c2)cn1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine?
The InChIKey is SATOCVVEAGJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5/c1-11(2)7-20-8-12(5-18-20)3-17-4-13-6-19-21(9-13)10-14(15)16/h5-6,8-9,11,14,17H,3-4,7,10H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine?
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine has a molecular weight of 297.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 122167670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).