N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide

C14H24N4O2 — CID 103120763

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-18-9-7-13(17-18)14(19)16-8-2-10-20-12-5-3-11(15)4-6-12/h7,9,11-12H,2-6,8,10,15H2,1H3,(H,16,19)
InChIKeyKNHJCSWDACHSTE-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.83
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide

N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103120763) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
PubChem CID103120763
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-18-9-7-13(17-18)14(19)16-8-2-10-20-12-5-3-11(15)4-6-12/h7,9,11-12H,2-6,8,10,15H2,1H3,(H,16,19)
InChIKeyKNHJCSWDACHSTE-UHFFFAOYSA-N
XLogP0.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
CID 63871479
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
CID 63870310
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
CID 55251521
N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
CID 63871144
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
CID 122562458
N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
CID 81121283
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide (CID 103120763) is N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCCCOC2CCC(N)CC2)n1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is KNHJCSWDACHSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-18-9-7-13(17-18)14(19)16-8-2-10-20-12-5-3-11(15)4-6-12/h7,9,11-12H,2-6,8,10,15H2,1H3,(H,16,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103120763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).