4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine

C19H22N4O — CID 121496283

IUPAC4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
SMILESCOc1ccc(Cn2cc(-c3cc(C(C)C)nc(C)n3)cn2)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)18-9-19(22-14(3)21-18)16-10-20-23(12-16)11-15-5-7-17(24-4)8-6-15/h5-10,12-13H,11H2,1-4H3
InChIKeyJWCLPAKKWJEHBZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.83
Rot. Bonds5

About 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine

4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine (PubChem CID 121496283) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
PubChem CID121496283
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
SMILESCOc1ccc(Cn2cc(-c3cc(C(C)C)nc(C)n3)cn2)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)18-9-19(22-14(3)21-18)16-10-20-23(12-16)11-15-5-7-17(24-4)8-6-15/h5-10,12-13H,11H2,1-4H3
InChIKeyJWCLPAKKWJEHBZ-UHFFFAOYSA-N
XLogP3.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 56911631
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121390926
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
7-chloro-2-[(4-methoxyphenyl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-d]pyrimidine
CID 90104713
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine (CID 121496283) is 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine is COc1ccc(Cn2cc(-c3cc(C(C)C)nc(C)n3)cn2)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine?
The InChIKey is JWCLPAKKWJEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)18-9-19(22-14(3)21-18)16-10-20-23(12-16)11-15-5-7-17(24-4)8-6-15/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine?
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine has a molecular weight of 322.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 121496283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).