N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C12H14FN3 — CID 43547419

IUPACN-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-8-12(9(2)16-15-8)14-7-10-4-3-5-11(13)6-10/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyCETLGWYBOQDPRN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.78
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547419) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547419
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-8-12(9(2)16-15-8)14-7-10-4-3-5-11(13)6-10/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyCETLGWYBOQDPRN-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547184
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547207
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547419) is N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is CETLGWYBOQDPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-12(9(2)16-15-8)14-7-10-4-3-5-11(13)6-10/h3-6,14H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).