tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate

C15H22N4O3 — CID 107255974

IUPACtert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCC(NCc1cn[nH]c1NC(=O)OC(C)(C)C)c1ccoc1
InChIInChI=1S/C15H22N4O3/c1-10(11-5-6-21-9-11)16-7-12-8-17-19-13(12)18-14(20)22-15(2,3)4/h5-6,8-10,16H,7H2,1-4H3,(H2,17,18,19,20)
InChIKeyMOWDGMZOQHCCRV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds5

About tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107255974) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107255974
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCC(NCc1cn[nH]c1NC(=O)OC(C)(C)C)c1ccoc1
InChIInChI=1S/C15H22N4O3/c1-10(11-5-6-21-9-11)16-7-12-8-17-19-13(12)18-14(20)22-15(2,3)4/h5-6,8-10,16H,7H2,1-4H3,(H2,17,18,19,20)
InChIKeyMOWDGMZOQHCCRV-UHFFFAOYSA-N
XLogP3.20
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
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-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107255953
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255938
tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
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
tert-butyl N-[4-[[(3-methyloxetan-3-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256114
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate (CID 107255974) is tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate is CC(NCc1cn[nH]c1NC(=O)OC(C)(C)C)c1ccoc1.
What is the InChIKey of tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is MOWDGMZOQHCCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(11-5-6-21-9-11)16-7-12-8-17-19-13(12)18-14(20)22-15(2,3)4/h5-6,8-10,16H,7H2,1-4H3,(H2,17,18,19,20).
What are the key properties of tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 3.20, 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-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107255974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).