N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine

C15H19F2N3 — CID 70773641

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3/c1-10(2)8-20(3)9-11-7-18-19-15(11)13-5-4-12(16)6-14(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeySCMSRMSCIABCRX-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.44
Rot. Bonds5

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 70773641) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID70773641
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3/c1-10(2)8-20(3)9-11-7-18-19-15(11)13-5-4-12(16)6-14(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeySCMSRMSCIABCRX-UHFFFAOYSA-N
XLogP3.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
5-(4-methylphenyl)-1H-pyrazole
CID 2725023
3-(4-Fluorophenyl)-1H-pyrazole
CID 688691
4-(4-Fluorophenyl)-3-Methyl-1h-Pyrazole
CID 67563593
2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
3-(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)propan-1-ol
CID 16187516
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine (CID 70773641) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is SCMSRMSCIABCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-10(2)8-20(3)9-11-7-18-19-15(11)13-5-4-12(16)6-14(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 279.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 70773641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).