2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline

C12H13F2N3 — CID 171921636

IUPAC2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
SMILESCCCn1cc(-c2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C12H13F2N3/c1-2-5-17-7-8(6-16-17)11-9(13)3-4-10(15)12(11)14/h3-4,6-7H,2,5,15H2,1H3
InChIKeyDVRSALIOTPHIIX-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.82
Rot. Bonds3

About 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline

2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline (PubChem CID 171921636) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
PubChem CID171921636
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
SMILESCCCn1cc(-c2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C12H13F2N3/c1-2-5-17-7-8(6-16-17)11-9(13)3-4-10(15)12(11)14/h3-4,6-7H,2,5,15H2,1H3
InChIKeyDVRSALIOTPHIIX-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171921652
4-fluoro-3-(1-propylpyrazol-4-yl)aniline
CID 104781165
4-(1-butylpyrazol-4-yl)-3-fluoro-2-methylaniline
CID 171906285
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
tert-butyl 4-[[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 171921646
2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine
CID 167076606
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
6-chloro-2-(1-propylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 103573153
5-fluoro-2-(1-propylpyrazol-4-yl)phenol
CID 83130519
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline?
The IUPAC name of 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline (CID 171921636) is 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline.
What is the SMILES notation for 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline?
The canonical SMILES for 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline is CCCn1cc(-c2c(F)ccc(N)c2F)cn1.
What is the InChIKey of 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline?
The InChIKey is DVRSALIOTPHIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-5-17-7-8(6-16-17)11-9(13)3-4-10(15)12(11)14/h3-4,6-7H,2,5,15H2,1H3.
What are the key properties of 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline?
2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline has a molecular weight of 237.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline is sourced from PubChem (CID 171921636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).