1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one

C18H25N5O2 — CID 121279552

IUPAC1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccn(C(C)C)c(=O)n3)C2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-11(2)15-9-16(21-20-15)17(24)22-7-5-13(10-22)14-6-8-23(12(3)4)18(25)19-14/h6,8-9,11-13H,5,7,10H2,1-4H3,(H,20,21)
InChIKeyNYJGAZAWPIQSBW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.30
Rot. Bonds4

About 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one

1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one (PubChem CID 121279552) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one
PubChem CID121279552
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccn(C(C)C)c(=O)n3)C2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-11(2)15-9-16(21-20-15)17(24)22-7-5-13(10-22)14-6-8-23(12(3)4)18(25)19-14/h6,8-9,11-13H,5,7,10H2,1-4H3,(H,20,21)
InChIKeyNYJGAZAWPIQSBW-UHFFFAOYSA-N
XLogP2.30
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 183
CID 121279732
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599
US10022354, Example 230
CID 121279605

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one?
The IUPAC name of 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one (CID 121279552) is 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one is CC(C)c1cc(C(=O)N2CCC(c3ccn(C(C)C)c(=O)n3)C2)n[nH]1.
What is the InChIKey of 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one?
The InChIKey is NYJGAZAWPIQSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(2)15-9-16(21-20-15)17(24)22-7-5-13(10-22)14-6-8-23(12(3)4)18(25)19-14/h6,8-9,11-13H,5,7,10H2,1-4H3,(H,20,21).
What are the key properties of 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one?
1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-2-one is sourced from PubChem (CID 121279552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).