tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate

C14H18N4O2 — CID 117438441

IUPACtert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-6-4-9(5-7-10)11-8-12(15)18-17-11/h4-8H,1-3H3,(H,16,19)(H3,15,17,18)
InChIKeyRCONOSRGEQSAKL-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate

tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate (PubChem CID 117438441) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate
PubChem CID117438441
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-6-4-9(5-7-10)11-8-12(15)18-17-11/h4-8H,1-3H3,(H,16,19)(H3,15,17,18)
InChIKeyRCONOSRGEQSAKL-UHFFFAOYSA-N
XLogP3.01
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate (CID 117438441) is tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cc(N)n[nH]2)cc1.
What is the InChIKey of tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate?
The InChIKey is RCONOSRGEQSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-6-4-9(5-7-10)11-8-12(15)18-17-11/h4-8H,1-3H3,(H,16,19)(H3,15,17,18).
What are the key properties of tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate?
tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 117438441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).