N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide

C10H17N3O2 — CID 19474725

IUPACN-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-3-15-6-4-5-11-10(14)9-7-12-13(2)8-9/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyIOIHVMIRTLIAEK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds6

About N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide

N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 19474725) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide
PubChem CID19474725
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-3-15-6-4-5-11-10(14)9-7-12-13(2)8-9/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyIOIHVMIRTLIAEK-UHFFFAOYSA-N
XLogP0.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
N-(3-methoxypropyl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53544420
methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
5-(1-Ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201427
(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203516
4-(Methoxymethyl)-N-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110203525
1-ethyl-1H-pyrazole-4-carboxamide
CID 22456653
1-Propyl-1h-pyrazole-4-carboxamide
CID 53845262

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide (CID 19474725) is N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide is CCOCCCNC(=O)c1cnn(C)c1.
What is the InChIKey of N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IOIHVMIRTLIAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-15-6-4-5-11-10(14)9-7-12-13(2)8-9/h7-8H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide?
N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).