7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C18H15N3 — CID 164575676

IUPAC7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C3C=CC=C3)ccnc2c1-c1ccccc1
InChIInChI=1S/C18H15N3/c1-13-17(15-9-3-2-4-10-15)18-19-12-11-16(21(18)20-13)14-7-5-6-8-14/h2-12,14H,1H3
InChIKeyRWQVFWCKGFTNQY-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.91
Rot. Bonds2

About 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 164575676) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID164575676
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C3C=CC=C3)ccnc2c1-c1ccccc1
InChIInChI=1S/C18H15N3/c1-13-17(15-9-3-2-4-10-15)18-19-12-11-16(21(18)20-13)14-7-5-6-8-14/h2-12,14H,1H3
InChIKeyRWQVFWCKGFTNQY-UHFFFAOYSA-N
XLogP3.91
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623
7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 166871451
2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 30465498
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 164575690
4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 102128230
(8S)-2-methyl-8-(2-methylphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769132
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56922577
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166871092
4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
CID 135616084

Frequently Asked Questions

What is the IUPAC name of 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 164575676) is 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(C3C=CC=C3)ccnc2c1-c1ccccc1.
What is the InChIKey of 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RWQVFWCKGFTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-17(15-9-3-2-4-10-15)18-19-12-11-16(21(18)20-13)14-7-5-6-8-14/h2-12,14H,1H3.
What are the key properties of 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 164575676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).