benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate

C19H25N3O3 — CID 10066042

IUPACbenzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCc1cc(C)n(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H25N3O3/c1-13(2)10-17(18(23)22-15(4)11-14(3)21-22)20-19(24)25-12-16-8-6-5-7-9-16/h5-9,11,13,17H,10,12H2,1-4H3,(H,20,24)/t17-/m0/s1
InChIKeyVYKBNWLVFIDWMC-KRWDZBQOSA-N
MW343.43 g/mol
LogP3.48
Rot. Bonds6

About benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10066042) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID10066042
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namebenzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCc1cc(C)n(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H25N3O3/c1-13(2)10-17(18(23)22-15(4)11-14(3)21-22)20-19(24)25-12-16-8-6-5-7-9-16/h5-9,11,13,17H,10,12H2,1-4H3,(H,20,24)/t17-/m0/s1
InChIKeyVYKBNWLVFIDWMC-KRWDZBQOSA-N
XLogP3.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-[1-(3,5-dimethylanilino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 14440813
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14506335
benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 67703494
benzyl N-[1-(benzotriazol-2-yl)-3-methylbutyl]carbamate
CID 3517933
benzyl N-[(2R)-1-(3,4-dimethylanilino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7298999
benzyl N-[(4S)-8-[[(3S)-1-fluoro-5-methyl-2-oxohexan-3-yl]amino]-2-methyl-5,8-dioxooctan-4-yl]carbamate
CID 158939822
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
benzyl N-[(2S)-1-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate (CID 10066042) is benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate is Cc1cc(C)n(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is VYKBNWLVFIDWMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)10-17(18(23)22-15(4)11-14(3)21-22)20-19(24)25-12-16-8-6-5-7-9-16/h5-9,11,13,17H,10,12H2,1-4H3,(H,20,24)/t17-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10066042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).