4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide

C15H28N4O — CID 62075783

IUPAC4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C(=O)c1n[nH]c(CCC)c1N)C(C)CC
InChIInChI=1S/C15H28N4O/c1-5-8-10-19(11(4)7-3)15(20)14-13(16)12(9-6-2)17-18-14/h11H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyNGHNLKMFWKGPNW-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.99
Rot. Bonds8

About 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075783) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075783
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C(=O)c1n[nH]c(CCC)c1N)C(C)CC
InChIInChI=1S/C15H28N4O/c1-5-8-10-19(11(4)7-3)15(20)14-13(16)12(9-6-2)17-18-14/h11H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyNGHNLKMFWKGPNW-UHFFFAOYSA-N
XLogP2.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075785
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 62076734
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 102858736
4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 79483925
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076132
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide (CID 62075783) is 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide is CCCCN(C(=O)c1n[nH]c(CCC)c1N)C(C)CC.
What is the InChIKey of 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is NGHNLKMFWKGPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-8-10-19(11(4)7-3)15(20)14-13(16)12(9-6-2)17-18-14/h11H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).