[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate

C9H7BrN4O2 — CID 172801796

IUPAC[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(-n2cc(Br)cn2)ccn1
InChIInChI=1S/C9H7BrN4O2/c10-6-4-13-14(5-6)7-1-2-12-8(3-7)16-9(11)15/h1-5H,(H2,11,15)
InChIKeyQYTSZHHVUATCEP-UHFFFAOYSA-N
MW283.09 g/mol
LogP1.49
Rot. Bonds2

About [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate

[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate (PubChem CID 172801796) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.09 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate
PubChem CID172801796
Molecular FormulaC9H7BrN4O2
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(-n2cc(Br)cn2)ccn1
InChIInChI=1S/C9H7BrN4O2/c10-6-4-13-14(5-6)7-1-2-12-8(3-7)16-9(11)15/h1-5H,(H2,11,15)
InChIKeyQYTSZHHVUATCEP-UHFFFAOYSA-N
XLogP1.49
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate
CID 156773284
2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
CID 61035552
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
CID 54910433
ethyl 2-amino-5-(4-bromopyrazol-1-yl)benzoate
CID 61312078
2-amino-5-(4-bromopyrazol-1-yl)phenol
CID 178025198
1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605
3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide
CID 99631353
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
5-(4-bromopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488780
2-amino-2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid
CID 117476951
4-bromo-1-(3,4-difluorophenyl)pyrazole
CID 66521494

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate?
The IUPAC name of [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate (CID 172801796) is [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate is NC(=O)Oc1cc(-n2cc(Br)cn2)ccn1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate?
The InChIKey is QYTSZHHVUATCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-4-13-14(5-6)7-1-2-12-8(3-7)16-9(11)15/h1-5H,(H2,11,15).
What are the key properties of [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate?
[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate has a molecular weight of 283.09 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate is sourced from PubChem (CID 172801796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).