N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C11H20N4O — CID 110833964

IUPACN-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCCCN)n[nH]c1C(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)9-8(3)10(15-14-9)11(16)13-6-4-5-12/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySDFZJQGNMOPDOD-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.92
Rot. Bonds5

About N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 110833964) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID110833964
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCCCN)n[nH]c1C(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)9-8(3)10(15-14-9)11(16)13-6-4-5-12/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySDFZJQGNMOPDOD-UHFFFAOYSA-N
XLogP0.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-cyclopentylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106006372
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119497916
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
3-(3-methoxypropylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368308
3-(pentylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65369045
4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 110836565
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106391325

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 110833964) is N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1c(C(=O)NCCCN)n[nH]c1C(C)C.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is SDFZJQGNMOPDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9-8(3)10(15-14-9)11(16)13-6-4-5-12/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110833964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).