2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide

C19H28N4O — CID 123556874

IUPAC2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCC(NC)C(C)c1ccccc1
InChIInChI=1S/C19H28N4O/c1-5-23-18(13-14(2)22-23)19(24)21-12-11-17(20-4)15(3)16-9-7-6-8-10-16/h6-10,13,15,17,20H,5,11-12H2,1-4H3,(H,21,24)
InChIKeyVZWOGJQBSYLQDC-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.72
Rot. Bonds8

About 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide (PubChem CID 123556874) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide
PubChem CID123556874
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCC(NC)C(C)c1ccccc1
InChIInChI=1S/C19H28N4O/c1-5-23-18(13-14(2)22-23)19(24)21-12-11-17(20-4)15(3)16-9-7-6-8-10-16/h6-10,13,15,17,20H,5,11-12H2,1-4H3,(H,21,24)
InChIKeyVZWOGJQBSYLQDC-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide (CID 123556874) is 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCCC(NC)C(C)c1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide?
The InChIKey is VZWOGJQBSYLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-23-18(13-14(2)22-23)19(24)21-12-11-17(20-4)15(3)16-9-7-6-8-10-16/h6-10,13,15,17,20H,5,11-12H2,1-4H3,(H,21,24).
What are the key properties of 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide is sourced from PubChem (CID 123556874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).