tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate

C16H28N4O3 — CID 96511259

IUPACtert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate
SMILESCc1c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C16H28N4O3/c1-11(10-19(6)15(22)23-16(3,4)5)8-17-14(21)13-9-18-20(7)12(13)2/h9,11H,8,10H2,1-7H3,(H,17,21)/t11-/m0/s1
InChIKeyHPTNWLRVFVSPJW-NSHDSACASA-N
MW324.43 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate (PubChem CID 96511259) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate
PubChem CID96511259
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate
SMILESCc1c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C16H28N4O3/c1-11(10-19(6)15(22)23-16(3,4)5)8-17-14(21)13-9-18-20(7)12(13)2/h9,11H,8,10H2,1-7H3,(H,17,21)/t11-/m0/s1
InChIKeyHPTNWLRVFVSPJW-NSHDSACASA-N
XLogP1.96
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-3-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]-2-methylpropyl]-N-methylcarbamate
CID 95318224
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
CID 97028935
methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
CID 103492895
tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate
CID 95621544
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
CID 55008401
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766
tert-butyl N-[(2R)-3-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 124558232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate (CID 96511259) is tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate is Cc1c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)cnn1C.
What is the InChIKey of tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate?
The InChIKey is HPTNWLRVFVSPJW-NSHDSACASA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(10-19(6)15(22)23-16(3,4)5)8-17-14(21)13-9-18-20(7)12(13)2/h9,11H,8,10H2,1-7H3,(H,17,21)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate has a molecular weight of 324.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 96511259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).