4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C24H27N3O — CID 134805836

IUPAC4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1OCc1ccccc1)N(CC1CC1)CCC2
InChIInChI=1S/C24H27N3O/c1-18-23(24-26(16-19-12-13-19)14-7-15-27(24)25-18)21-10-5-6-11-22(21)28-17-20-8-3-2-4-9-20/h2-6,8-11,19H,7,12-17H2,1H3
InChIKeyFKCCKXKIUBRFLZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.06
Rot. Bonds6

About 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134805836) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134805836
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1OCc1ccccc1)N(CC1CC1)CCC2
InChIInChI=1S/C24H27N3O/c1-18-23(24-26(16-19-12-13-19)14-7-15-27(24)25-18)21-10-5-6-11-22(21)28-17-20-8-3-2-4-9-20/h2-6,8-11,19H,7,12-17H2,1H3
InChIKeyFKCCKXKIUBRFLZ-UHFFFAOYSA-N
XLogP5.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183319
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenylethanone
CID 122195699
2-(3-fluorophenyl)-1-[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134806775
3-(2-Methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 3356001
3-(2-Methoxyphenyl)-2,5-dimethyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine
CID 4179586
1-[2-(phenoxymethyl)-5-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195727
4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134805136
2-(3-methoxyphenyl)-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134805838
CID 134806487
CID 134806487
2-[[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
CID 134807136
3-[[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
CID 134807340

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134805836) is 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1OCc1ccccc1)N(CC1CC1)CCC2.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is FKCCKXKIUBRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-23(24-26(16-19-12-13-19)14-7-15-27(24)25-18)21-10-5-6-11-22(21)28-17-20-8-3-2-4-9-20/h2-6,8-11,19H,7,12-17H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 373.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134805836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).