(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine

C13H15F2N3 — CID 63977003

IUPAC(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-2-7-18-12(5-6-17-18)13(16)9-3-4-10(14)11(15)8-9/h3-6,8,13H,2,7,16H2,1H3
InChIKeyIPHUWFICLQLKRG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.62
Rot. Bonds4

About (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine

(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 63977003) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID63977003
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-2-7-18-12(5-6-17-18)13(16)9-3-4-10(14)11(15)8-9/h3-6,8,13H,2,7,16H2,1H3
InChIKeyIPHUWFICLQLKRG-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine (CID 63977003) is (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is IPHUWFICLQLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-2-7-18-12(5-6-17-18)13(16)9-3-4-10(14)11(15)8-9/h3-6,8,13H,2,7,16H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 251.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63977003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).