4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride

C7H7ClN4O — CID 175933857

IUPAC4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1cc(-c2cn[nH]c2)nc[nH]1
InChIInChI=1S/C7H6N4O.ClH/c12-7-1-6(8-4-9-7)5-2-10-11-3-5;/h1-4H,(H,10,11)(H,8,9,12);1H
InChIKeyOIDQSVWERVUOED-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.58
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride

4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 175933857) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID175933857
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1cc(-c2cn[nH]c2)nc[nH]1
InChIInChI=1S/C7H6N4O.ClH/c12-7-1-6(8-4-9-7)5-2-10-11-3-5;/h1-4H,(H,10,11)(H,8,9,12);1H
InChIKeyOIDQSVWERVUOED-UHFFFAOYSA-N
XLogP0.58
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride (CID 175933857) is 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride is Cl.O=c1cc(-c2cn[nH]c2)nc[nH]1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is OIDQSVWERVUOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.ClH/c12-7-1-6(8-4-9-7)5-2-10-11-3-5;/h1-4H,(H,10,11)(H,8,9,12);1H.
What are the key properties of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride?
4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 198.61 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 175933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).