tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate

C17H32N4O2 — CID 103787703

IUPACtert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC(C)c1cnn(C)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-8-17(9-2,20-15(22)23-16(4,5)6)12-18-13(3)14-10-19-21(7)11-14/h10-11,13,18H,8-9,12H2,1-7H3,(H,20,22)
InChIKeyOCCFNPQJZPMUHJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.15
Rot. Bonds7

About tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate (PubChem CID 103787703) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate
PubChem CID103787703
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC(C)c1cnn(C)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-8-17(9-2,20-15(22)23-16(4,5)6)12-18-13(3)14-10-19-21(7)11-14/h10-11,13,18H,8-9,12H2,1-7H3,(H,20,22)
InChIKeyOCCFNPQJZPMUHJ-UHFFFAOYSA-N
XLogP3.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787700
tert-butyl N-[3-[1-(1-ethylpyrazol-4-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 104955560
2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
CID 107251605
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 86789124
tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
CID 107239819
tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
CID 103714741
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
tert-butyl 3-[(1S)-1-[[(1S)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]azetidine-1-carboxylate
CID 100620224
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532822
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate (CID 103787703) is tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate is CCC(CC)(CNC(C)c1cnn(C)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate?
The InChIKey is OCCFNPQJZPMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-8-17(9-2,20-15(22)23-16(4,5)6)12-18-13(3)14-10-19-21(7)11-14/h10-11,13,18H,8-9,12H2,1-7H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 103787703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).