5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C12H14ClN5O — CID 146089222

IUPAC5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cnn(C2CCN(c3ncc(Cl)c(=O)[nH]3)C2)c1
InChIInChI=1S/C12H14ClN5O/c1-8-4-15-18(6-8)9-2-3-17(7-9)12-14-5-10(13)11(19)16-12/h4-6,9H,2-3,7H2,1H3,(H,14,16,19)
InChIKeyVKWVPZKIWIYRGR-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.38
Rot. Bonds2

About 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 146089222) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID146089222
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cnn(C2CCN(c3ncc(Cl)c(=O)[nH]3)C2)c1
InChIInChI=1S/C12H14ClN5O/c1-8-4-15-18(6-8)9-2-3-17(7-9)12-14-5-10(13)11(19)16-12/h4-6,9H,2-3,7H2,1H3,(H,14,16,19)
InChIKeyVKWVPZKIWIYRGR-UHFFFAOYSA-N
XLogP1.38
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 146089222) is 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is Cc1cnn(C2CCN(c3ncc(Cl)c(=O)[nH]3)C2)c1.
What is the InChIKey of 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VKWVPZKIWIYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8-4-15-18(6-8)9-2-3-17(7-9)12-14-5-10(13)11(19)16-12/h4-6,9H,2-3,7H2,1H3,(H,14,16,19).
What are the key properties of 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 279.73 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 146089222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).