N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide

C13H24N4O — CID 110484320

IUPACN-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-4-17(5-2)9-7-6-8-14-13(18)12-10-11(3)15-16-12/h10H,4-9H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyDRKOAOLHEWTMDG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.57
Rot. Bonds8

About N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 110484320) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID110484320
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-4-17(5-2)9-7-6-8-14-13(18)12-10-11(3)15-16-12/h10H,4-9H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyDRKOAOLHEWTMDG-UHFFFAOYSA-N
XLogP1.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3607698
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508355
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 110484320) is N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide is CCN(CC)CCCCNC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is DRKOAOLHEWTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17(5-2)9-7-6-8-14-13(18)12-10-11(3)15-16-12/h10H,4-9H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110484320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).