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

C15H21N3 — CID 115857375

IUPAC(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(C)c(C)c1
InChIInChI=1S/C15H21N3/c1-4-9-18-14(7-8-17-18)15(16)13-6-5-11(2)12(3)10-13/h5-8,10,15H,4,9,16H2,1-3H3
InChIKeyIDWOEPCZSPGTTA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.96
Rot. Bonds4

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

(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857375) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857375
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(C)c(C)c1
InChIInChI=1S/C15H21N3/c1-4-9-18-14(7-8-17-18)15(16)13-6-5-11(2)12(3)10-13/h5-8,10,15H,4,9,16H2,1-3H3
InChIKeyIDWOEPCZSPGTTA-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
(4-methylthiadiazol-5-yl)-(2-propylpyrazol-3-yl)methanamine
CID 105148203
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306921
(6-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974068
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine (CID 115857375) is (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccc(C)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is IDWOEPCZSPGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-9-18-14(7-8-17-18)15(16)13-6-5-11(2)12(3)10-13/h5-8,10,15H,4,9,16H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine?
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).