N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide

C14H24N4O2 — CID 129210554

IUPACN-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide
SMILESCc1nn(C2CCCCO2)cc1CN(C)CCNC=O
InChIInChI=1S/C14H24N4O2/c1-12-13(9-17(2)7-6-15-11-19)10-18(16-12)14-5-3-4-8-20-14/h10-11,14H,3-9H2,1-2H3,(H,15,19)
InChIKeyUXVYUXSNLMRFQL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds7

About N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide

N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide (PubChem CID 129210554) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide
PubChem CID129210554
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide
SMILESCc1nn(C2CCCCO2)cc1CN(C)CCNC=O
InChIInChI=1S/C14H24N4O2/c1-12-13(9-17(2)7-6-15-11-19)10-18(16-12)14-5-3-4-8-20-14/h10-11,14H,3-9H2,1-2H3,(H,15,19)
InChIKeyUXVYUXSNLMRFQL-UHFFFAOYSA-N
XLogP1.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[3-iodo-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]carbamate
CID 90461440
4-fluoro-3-methyl-1-(oxan-2-yl)pyrazole
CID 164762772
2-[[3-(4-hydroxycyclohexyl)-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 175785132
2-[2-[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl-methylcarbamic acid
CID 90461090
3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 102801488
methyl 5-[ethyl(methyl)carbamoyl]-6,6-dimethyl-3-[4-[[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]methyl]-1-(oxan-2-yl)pyrazol-3-yl]cyclohex-3-ene-1-carboxylate
CID 131985935
2-[2-[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl N-tert-butyl-N-methylcarbamate
CID 140658094
4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid
CID 154998873
2-[[3-[(3R)-3-cyclohexylperoxy-4,4-dimethylcyclohexyl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 175333388
tert-butyl N-[2-[2-[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl]carbamate
CID 140775204
2-[[3-[3-[ethyl(methyl)carbamoyl]-4,4-dimethyl-5-(3-methylbutylcarbamoyl)cyclohexyl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 118963079

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide?
The IUPAC name of N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide (CID 129210554) is N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide.
What is the SMILES notation for N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide?
The canonical SMILES for N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide is Cc1nn(C2CCCCO2)cc1CN(C)CCNC=O.
What is the InChIKey of N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide?
The InChIKey is UXVYUXSNLMRFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12-13(9-17(2)7-6-15-11-19)10-18(16-12)14-5-3-4-8-20-14/h10-11,14H,3-9H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide?
N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide has a molecular weight of 280.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide is sourced from PubChem (CID 129210554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).