tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate

C14H20N4O3 — CID 107237111

IUPACtert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate
SMILESCc1ccc(-c2[nH]ncc2CNNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H20N4O3/c1-9-5-6-11(20-9)12-10(7-15-17-12)8-16-18-13(19)21-14(2,3)4/h5-7,16H,8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyCWGDXDBXUQHTCI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate

tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate (PubChem CID 107237111) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate
PubChem CID107237111
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate
SMILESCc1ccc(-c2[nH]ncc2CNNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H20N4O3/c1-9-5-6-11(20-9)12-10(7-15-17-12)8-16-18-13(19)21-14(2,3)4/h5-7,16H,8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyCWGDXDBXUQHTCI-UHFFFAOYSA-N
XLogP2.51
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2-methyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]benzoic acid
CID 167947679
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
CID 104980741
3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 43760366
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate?
The IUPAC name of tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate (CID 107237111) is tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate?
The canonical SMILES for tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate is Cc1ccc(-c2[nH]ncc2CNNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate?
The InChIKey is CWGDXDBXUQHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-5-6-11(20-9)12-10(7-15-17-12)8-16-18-13(19)21-14(2,3)4/h5-7,16H,8H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate?
tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate has a molecular weight of 292.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate is sourced from PubChem (CID 107237111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).