N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine

C14H21F2N5 — CID 122167669

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)c1cc(CNCc2cnn(CC(F)F)c2)n(C)n1
InChIInChI=1S/C14H21F2N5/c1-10(2)13-4-12(20(3)19-13)7-17-5-11-6-18-21(8-11)9-14(15)16/h4,6,8,10,14,17H,5,7,9H2,1-3H3
InChIKeyHBLWFFMUCKJILO-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.29
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 122167669) 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-methyl-3-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID122167669
Molecular FormulaC14H21F2N5
Molecular Weight297.35 g/mol
Exact Mass297.18
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)c1cc(CNCc2cnn(CC(F)F)c2)n(C)n1
InChIInChI=1S/C14H21F2N5/c1-10(2)13-4-12(20(3)19-13)7-17-5-11-6-18-21(8-11)9-14(15)16/h4,6,8,10,14,17H,5,7,9H2,1-3H3
InChIKeyHBLWFFMUCKJILO-UHFFFAOYSA-N
XLogP2.29
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-methyl-3-propan-2-ylpyrazol-5-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-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine (CID 122167669) is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine is CC(C)c1cc(CNCc2cnn(CC(F)F)c2)n(C)n1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is HBLWFFMUCKJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5/c1-10(2)13-4-12(20(3)19-13)7-17-5-11-6-18-21(8-11)9-14(15)16/h4,6,8,10,14,17H,5,7,9H2,1-3H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 297.35 g/mol, XLogP of 2.29, 7 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-methyl-3-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 122167669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).