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

C13H25N5O — CID 55034048

IUPAC4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCCN(CC)CC)c1N
InChIInChI=1S/C13H25N5O/c1-4-10-11(14)12(17-16-10)13(19)15-8-7-9-18(5-2)6-3/h4-9,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyKZZKSWWTSVVXRI-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.02
Rot. Bonds8

About 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 55034048) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID55034048
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCCN(CC)CC)c1N
InChIInChI=1S/C13H25N5O/c1-4-10-11(14)12(17-16-10)13(19)15-8-7-9-18(5-2)6-3/h4-9,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyKZZKSWWTSVVXRI-UHFFFAOYSA-N
XLogP1.02
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.02
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-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696
4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
CID 62082513
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 113449775
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62080974
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 55034048) is 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCCN(CC)CC)c1N.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is KZZKSWWTSVVXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-10-11(14)12(17-16-10)13(19)15-8-7-9-18(5-2)6-3/h4-9,14H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).