2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C14H15F2N5O3 — CID 137049043

IUPAC2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCOCC3)c2C(F)F)n1
InChIInChI=1S/C14H15F2N5O3/c1-8-6-10(22)19-14(18-8)21-11(12(15)16)9(7-17-21)13(23)20-2-4-24-5-3-20/h6-7,12H,2-5H2,1H3,(H,18,19,22)
InChIKeyRCDPNCSATCQVLP-UHFFFAOYSA-N
MW339.30 g/mol
LogP0.67
Rot. Bonds3

About 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049043) has the molecular formula C14H15F2N5O3 and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049043
Molecular FormulaC14H15F2N5O3
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCOCC3)c2C(F)F)n1
InChIInChI=1S/C14H15F2N5O3/c1-8-6-10(22)19-14(18-8)21-11(12(15)16)9(7-17-21)13(23)20-2-4-24-5-3-20/h6-7,12H,2-5H2,1H3,(H,18,19,22)
InChIKeyRCDPNCSATCQVLP-UHFFFAOYSA-N
XLogP0.67
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049043) is 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCOCC3)c2C(F)F)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RCDPNCSATCQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O3/c1-8-6-10(22)19-14(18-8)21-11(12(15)16)9(7-17-21)13(23)20-2-4-24-5-3-20/h6-7,12H,2-5H2,1H3,(H,18,19,22).
What are the key properties of 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 339.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).