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

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Related Compounds

1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]heptan-1-amine;hydrochloride
CID 126967924
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122166655
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 122166252
3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
CID 122166208
3-ethoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 122166200
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479
4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961946

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).