(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one

C26H30N4O2 — CID 95811704

IUPAC(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C26H30N4O2/c1-4-14-29-15-16-30(25(31)23-18-27-28(3)19(23)2)24(26(29)32)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18,24H,4,14-17H2,1-3H3/t24-/m1/s1
InChIKeyWAHYNJFZMZXBOW-XMMPIXPASA-N
MW430.55 g/mol
LogP3.70
Rot. Bonds6

About (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one

(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one (PubChem CID 95811704) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one
PubChem CID95811704
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C26H30N4O2/c1-4-14-29-15-16-30(25(31)23-18-27-28(3)19(23)2)24(26(29)32)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18,24H,4,14-17H2,1-3H3/t24-/m1/s1
InChIKeyWAHYNJFZMZXBOW-XMMPIXPASA-N
XLogP3.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one?
The IUPAC name of (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one (CID 95811704) is (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one?
The canonical SMILES for (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one is CCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one?
The InChIKey is WAHYNJFZMZXBOW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N4O2/c1-4-14-29-15-16-30(25(31)23-18-27-28(3)19(23)2)24(26(29)32)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18,24H,4,14-17H2,1-3H3/t24-/m1/s1.
What are the key properties of (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one?
(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one has a molecular weight of 430.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one is sourced from PubChem (CID 95811704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).