tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate

C16H24N4O2S — CID 107255953

IUPACtert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCc1ccc(C(C)NCc2cn[nH]c2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H24N4O2S/c1-10-6-7-13(23-10)11(2)17-8-12-9-18-20-14(12)19-15(21)22-16(3,4)5/h6-7,9,11,17H,8H2,1-5H3,(H2,18,19,20,21)
InChIKeyHLCSPQVTSMWXFU-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.98
Rot. Bonds5

About tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107255953) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107255953
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Nametert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCc1ccc(C(C)NCc2cn[nH]c2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H24N4O2S/c1-10-6-7-13(23-10)11(2)17-8-12-9-18-20-14(12)19-15(21)22-16(3,4)5/h6-7,9,11,17H,8H2,1-5H3,(H2,18,19,20,21)
InChIKeyHLCSPQVTSMWXFU-UHFFFAOYSA-N
XLogP3.98
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(1-phenylethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255950
tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107255974
tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255938
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256004
tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256095
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
tert-butyl N-[4-[[(5-methyl-2-pyridinyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256065
tert-butyl N-[4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256103
tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255997
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
tert-butyl N-[4-[[(2,4,5-trifluorophenyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 114058013

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate (CID 107255953) is tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate is Cc1ccc(C(C)NCc2cn[nH]c2NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is HLCSPQVTSMWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10-6-7-13(23-10)11(2)17-8-12-9-18-20-14(12)19-15(21)22-16(3,4)5/h6-7,9,11,17H,8H2,1-5H3,(H2,18,19,20,21).
What are the key properties of tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 336.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107255953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).