3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide

C11H21N5O — CID 64524402

IUPAC3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H21N5O/c1-3-16(4-2)7-5-6-13-11(17)9-8-10(12)15-14-9/h8H,3-7H2,1-2H3,(H,13,17)(H3,12,14,15)
InChIKeyWNADSKVQFXHVNG-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.45
Rot. Bonds7

About 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524402) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
PubChem CID64524402
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H21N5O/c1-3-16(4-2)7-5-6-13-11(17)9-8-10(12)15-14-9/h8H,3-7H2,1-2H3,(H,13,17)(H3,12,14,15)
InChIKeyWNADSKVQFXHVNG-UHFFFAOYSA-N
XLogP0.45
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.45
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

3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
CID 139900708
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide (CID 64524402) is 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide is CCN(CC)CCCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WNADSKVQFXHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-16(4-2)7-5-6-13-11(17)9-8-10(12)15-14-9/h8H,3-7H2,1-2H3,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).