1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide

C15H20N4O — CID 64780236

IUPAC1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(CC(C)N)c(C)c2)n1
InChIInChI=1S/C15H20N4O/c1-10-8-13(5-4-12(10)9-11(2)16)19-7-6-14(18-19)15(20)17-3/h4-8,11H,9,16H2,1-3H3,(H,17,20)
InChIKeyFSGQTGAVQYXZEP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.43
Rot. Bonds4

About 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide

1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 64780236) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
PubChem CID64780236
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(CC(C)N)c(C)c2)n1
InChIInChI=1S/C15H20N4O/c1-10-8-13(5-4-12(10)9-11(2)16)19-7-6-14(18-19)15(20)17-3/h4-8,11H,9,16H2,1-3H3,(H,17,20)
InChIKeyFSGQTGAVQYXZEP-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide (CID 64780236) is 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(CC(C)N)c(C)c2)n1.
What is the InChIKey of 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is FSGQTGAVQYXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-8-13(5-4-12(10)9-11(2)16)19-7-6-14(18-19)15(20)17-3/h4-8,11H,9,16H2,1-3H3,(H,17,20).
What are the key properties of 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide?
1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).