N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide

C14H26N4O — CID 102809914

IUPACN-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCCN)CC(C)C
InChIInChI=1S/C14H26N4O/c1-5-13-12(10-17(4)16-13)14(19)18(8-6-7-15)9-11(2)3/h10-11H,5-9,15H2,1-4H3
InChIKeyFWUZVGBIYYOKRO-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.43
Rot. Bonds7

About N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide

N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 102809914) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID102809914
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCCN)CC(C)C
InChIInChI=1S/C14H26N4O/c1-5-13-12(10-17(4)16-13)14(19)18(8-6-7-15)9-11(2)3/h10-11H,5-9,15H2,1-4H3
InChIKeyFWUZVGBIYYOKRO-UHFFFAOYSA-N
XLogP1.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 102809912
N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809889
N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 102921196
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102810859
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
N-(3-aminopropyl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115836
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102811123
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 103894190
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 102810254
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide (CID 102809914) is N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(CCCN)CC(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is FWUZVGBIYYOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-13-12(10-17(4)16-13)14(19)18(8-6-7-15)9-11(2)3/h10-11H,5-9,15H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 102809914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).