2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate

C19H32N4O4 — CID 11222736

IUPAC2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-16(11(2)3)12(4)5)15(24)18(25)22-17-13(6)10-20-23-17/h10-12,14,16H,7-9H2,1-6H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1
InChIKeyWVLILWRHPIPBFE-AWEZNQCLSA-N
MW380.49 g/mol
LogP3.19
Rot. Bonds10

About 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate

2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate (PubChem CID 11222736) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
PubChem CID11222736
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-16(11(2)3)12(4)5)15(24)18(25)22-17-13(6)10-20-23-17/h10-12,14,16H,7-9H2,1-6H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1
InChIKeyWVLILWRHPIPBFE-AWEZNQCLSA-N
XLogP3.19
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-(1H-pyrazol-5-ylamino)heptan-3-yl]carbamate
CID 10316842
2,4-dimethylpentan-3-yl N-[(3S)-1-[(1-methylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11211199
2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-cyano-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11269348
2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-bromo-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11453603
[1-(1H-Pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-ethyl-cyclohexylmethyl ester
CID 11176831
2,4-dimethylpentan-3-yl N-[(3S)-1-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11201021
3-[(S)-3-(1-Isopropyl-2-methyl-propoxycarbonylamino)-2-oxo-heptanoylamino]-1H-pyrazole-4-carboxylic acid ethyl ester
CID 11201464
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-methylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11269005
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-cyclopentylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11305090
[1-(1H-Pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-ethyl-cyclopentylmethyl ester
CID 11314946
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-ethylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11326873
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-cyclobutylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11362165

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate (CID 11222736) is 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate is CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
The InChIKey is WVLILWRHPIPBFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-7-8-9-14(21-19(26)27-16(11(2)3)12(4)5)15(24)18(25)22-17-13(6)10-20-23-17/h10-12,14,16H,7-9H2,1-6H3,(H,21,26)(H2,20,22,23,25)/t14-/m0/s1.
What are the key properties of 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate?
2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 3.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-[(3S)-1-[(4-methyl-1H-pyrazol-5-yl)amino]-1,2-dioxoheptan-3-yl]carbamate is sourced from PubChem (CID 11222736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).