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

C23H25N3 — CID 134808914

IUPAC4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(CC1CC1)CCC2
InChIInChI=1S/C23H25N3/c1-17-22(21-11-6-5-10-20(21)19-8-3-2-4-9-19)23-25(16-18-12-13-18)14-7-15-26(23)24-17/h2-6,8-11,18H,7,12-16H2,1H3
InChIKeyMUSABIWTVDIQBP-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.15
Rot. Bonds4

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

4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134808914) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134808914
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(CC1CC1)CCC2
InChIInChI=1S/C23H25N3/c1-17-22(21-11-6-5-10-20(21)19-8-3-2-4-9-19)23-25(16-18-12-13-18)14-7-15-26(23)24-17/h2-6,8-11,18H,7,12-16H2,1H3
InChIKeyMUSABIWTVDIQBP-UHFFFAOYSA-N
XLogP5.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134808914) is 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1-c1ccccc1)N(CC1CC1)CCC2.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is MUSABIWTVDIQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-17-22(21-11-6-5-10-20(21)19-8-3-2-4-9-19)23-25(16-18-12-13-18)14-7-15-26(23)24-17/h2-6,8-11,18H,7,12-16H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 343.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134808914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).