5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

C15H21FN4 — CID 66017108

IUPAC5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)Cc2ccccc2F)c1N
InChIInChI=1S/C15H21FN4/c1-4-7-13-14(17)15(20(3)18-13)19(2)10-11-8-5-6-9-12(11)16/h5-6,8-9H,4,7,10,17H2,1-3H3
InChIKeyKGTWDEAKXKGGHI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.73
Rot. Bonds5

About 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017108) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
PubChem CID66017108
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)Cc2ccccc2F)c1N
InChIInChI=1S/C15H21FN4/c1-4-7-13-14(17)15(20(3)18-13)19(2)10-11-8-5-6-9-12(11)16/h5-6,8-9H,4,7,10,17H2,1-3H3
InChIKeyKGTWDEAKXKGGHI-UHFFFAOYSA-N
XLogP2.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
1-methyl-5-(4-phenylpiperazino)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 5172209
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
5-Amino-1-benzyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 683821
1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 869112
4-benzyl-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide
CID 998440
N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]-N''-methylbenzenecarboximidamide
CID 2324502

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (CID 66017108) is 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)Cc2ccccc2F)c1N.
What is the InChIKey of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The InChIKey is KGTWDEAKXKGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-7-13-14(17)15(20(3)18-13)19(2)10-11-8-5-6-9-12(11)16/h5-6,8-9H,4,7,10,17H2,1-3H3.
What are the key properties of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine has a molecular weight of 276.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).