N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine

C14H17F2N3 — CID 122168316

IUPACN-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cc(F)ccc2F)c(C)n1
InChIInChI=1S/C14H17F2N3/c1-3-6-19-9-14(10(2)18-19)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9,17H,3,6,8H2,1-2H3
InChIKeyDFRTVAFZTWDAGB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.49
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine

N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine (PubChem CID 122168316) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
PubChem CID122168316
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cc(F)ccc2F)c(C)n1
InChIInChI=1S/C14H17F2N3/c1-3-6-19-9-14(10(2)18-19)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9,17H,3,6,8H2,1-2H3
InChIKeyDFRTVAFZTWDAGB-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168384
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66020423
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168273
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine (CID 122168316) is N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine is CCCn1cc(NCc2cc(F)ccc2F)c(C)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is DFRTVAFZTWDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-6-19-9-14(10(2)18-19)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9,17H,3,6,8H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 122168316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).