[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone

C21H31N5O2 — CID 126768461

IUPAC[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)c2cnn(CC(C)C)c2C2CC2)CC1
InChIInChI=1S/C21H31N5O2/c1-14(2)12-26-20(17-5-6-17)18(11-22-26)21(27)25-9-7-24(8-10-25)13-19-15(3)23-28-16(19)4/h11,14,17H,5-10,12-13H2,1-4H3
InChIKeyKLHXWRVBVILTCJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.98
Rot. Bonds6

About [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone

[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 126768461) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID126768461
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)c2cnn(CC(C)C)c2C2CC2)CC1
InChIInChI=1S/C21H31N5O2/c1-14(2)12-26-20(17-5-6-17)18(11-22-26)21(27)25-9-7-24(8-10-25)13-19-15(3)23-28-16(19)4/h11,14,17H,5-10,12-13H2,1-4H3
InChIKeyKLHXWRVBVILTCJ-UHFFFAOYSA-N
XLogP2.98
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone (CID 126768461) is [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1noc(C)c1CN1CCN(C(=O)c2cnn(CC(C)C)c2C2CC2)CC1.
What is the InChIKey of [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is KLHXWRVBVILTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-14(2)12-26-20(17-5-6-17)18(11-22-26)21(27)25-9-7-24(8-10-25)13-19-15(3)23-28-16(19)4/h11,14,17H,5-10,12-13H2,1-4H3.
What are the key properties of [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126768461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).