4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide

C14H18N4O2 — CID 62379290

IUPAC4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCOc2ccccc2)c1N
InChIInChI=1S/C14H18N4O2/c1-10-12(15)13(18-17-10)14(19)16-8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyBWRNKGJOPIHPGH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds6

About 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide (PubChem CID 62379290) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
PubChem CID62379290
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCOc2ccccc2)c1N
InChIInChI=1S/C14H18N4O2/c1-10-12(15)13(18-17-10)14(19)16-8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyBWRNKGJOPIHPGH-UHFFFAOYSA-N
XLogP1.50
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 81315932
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034138
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide (CID 62379290) is 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCCOc2ccccc2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BWRNKGJOPIHPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-12(15)13(18-17-10)14(19)16-8-5-9-20-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62379290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).