5-chloro-1H-pyrazole;pyrimidine

C7H7ClN4 — CID 160795823

IUPAC5-chloro-1H-pyrazole;pyrimidine
SMILESClc1ccn[nH]1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H3ClN2/c1-2-5-4-6-3-1;4-3-1-2-5-6-3/h1-4H;1-2H,(H,5,6)
InChIKeySCKUHCUUXHHOFP-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.54
Rot. Bonds

About 5-chloro-1H-pyrazole;pyrimidine

5-chloro-1H-pyrazole;pyrimidine (PubChem CID 160795823) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-1H-pyrazole;pyrimidine.

Molecular Properties

Compound Name5-chloro-1H-pyrazole;pyrimidine
PubChem CID160795823
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name5-chloro-1H-pyrazole;pyrimidine
SMILESClc1ccn[nH]1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H3ClN2/c1-2-5-4-6-3-1;4-3-1-2-5-6-3/h1-4H;1-2H,(H,5,6)
InChIKeySCKUHCUUXHHOFP-UHFFFAOYSA-N
XLogP1.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazole;pyrimidine?
The IUPAC name of 5-chloro-1H-pyrazole;pyrimidine (CID 160795823) is 5-chloro-1H-pyrazole;pyrimidine.
What is the SMILES notation for 5-chloro-1H-pyrazole;pyrimidine?
The canonical SMILES for 5-chloro-1H-pyrazole;pyrimidine is Clc1ccn[nH]1.c1cncnc1.
What is the InChIKey of 5-chloro-1H-pyrazole;pyrimidine?
The InChIKey is SCKUHCUUXHHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H3ClN2/c1-2-5-4-6-3-1;4-3-1-2-5-6-3/h1-4H;1-2H,(H,5,6).
What are the key properties of 5-chloro-1H-pyrazole;pyrimidine?
5-chloro-1H-pyrazole;pyrimidine has a molecular weight of 182.61 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazole;pyrimidine is sourced from PubChem (CID 160795823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).