5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C14H19FN4 — CID 66019338

IUPAC5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H19FN4/c1-9(2)13-12(16)14(19(3)18-13)17-8-10-4-6-11(15)7-5-10/h4-7,9,17H,8,16H2,1-3H3
InChIKeyJNVSPGLVPCMQMN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds4

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

5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66019338) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66019338
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H19FN4/c1-9(2)13-12(16)14(19(3)18-13)17-8-10-4-6-11(15)7-5-10/h4-7,9,17H,8,16H2,1-3H3
InChIKeyJNVSPGLVPCMQMN-UHFFFAOYSA-N
XLogP2.88
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
CID 66016747
1-methyl-3-propan-2-yl-5-N-(1H-pyrazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66017428
1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 114185816
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66017234
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
N-[(4-aminophenyl)methyl]-1-methyl-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 116650507
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 66017201
3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
CID 66014364

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66019338) is 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCc2ccc(F)cc2)c1N.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JNVSPGLVPCMQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-9(2)13-12(16)14(19(3)18-13)17-8-10-4-6-11(15)7-5-10/h4-7,9,17H,8,16H2,1-3H3.
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66019338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).