4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide

C14H26N4O — CID 62080934

IUPAC4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C14H26N4O/c1-4-7-9-18(10-8-5-2)14(19)13-12(15)11(6-3)16-17-13/h4-10,15H2,1-3H3,(H,16,17)
InChIKeySARUJOUIRXTKGE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.60
Rot. Bonds8

About 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62080934) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62080934
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C14H26N4O/c1-4-7-9-18(10-8-5-2)14(19)13-12(15)11(6-3)16-17-13/h4-10,15H2,1-3H3,(H,16,17)
InChIKeySARUJOUIRXTKGE-UHFFFAOYSA-N
XLogP2.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
CID 63695913
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
CID 62080806
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080719
4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide (CID 62080934) is 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide is CCCCN(CCCC)C(=O)c1n[nH]c(CC)c1N.
What is the InChIKey of 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is SARUJOUIRXTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-9-18(10-8-5-2)14(19)13-12(15)11(6-3)16-17-13/h4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).