5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one

C11H14N4O — CID 62916033

IUPAC5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ncccn2)C(=O)C1C(C)C
InChIInChI=1S/C11H14N4O/c1-7(2)9-8(3)14-15(10(9)16)11-12-5-4-6-13-11/h4-7,9H,1-3H3
InChIKeyWLQPKQZMHMTXQB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.47
Rot. Bonds2

About 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one

5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one (PubChem CID 62916033) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
PubChem CID62916033
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ncccn2)C(=O)C1C(C)C
InChIInChI=1S/C11H14N4O/c1-7(2)9-8(3)14-15(10(9)16)11-12-5-4-6-13-11/h4-7,9H,1-3H3
InChIKeyWLQPKQZMHMTXQB-UHFFFAOYSA-N
XLogP1.47
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
CID 62914024
2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62913282
4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63973200
2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 165438239
2-(2-chlorophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one;2-(2-chlorophenyl)-4-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 160575452
2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 55133205
(4R)-4-[bis[4-(dimethylamino)phenyl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 51563584
(4S)-4-[(2-hydroxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124807573
5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
CID 21274513
4-(3-aminopropyl)-5-tert-butyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63971272
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035
(4S)-4-[(S)-(N-hydroxyanilino)-phenylmethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 6558171

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one (CID 62916033) is 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one is CC1=NN(c2ncccn2)C(=O)C1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
The InChIKey is WLQPKQZMHMTXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)9-8(3)14-15(10(9)16)11-12-5-4-6-13-11/h4-7,9H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one?
5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 62916033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).