1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine

C18H24N4O — CID 29105712

IUPAC1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3cc(C4CC4)n[nH]3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-23-17-6-4-16(5-7-17)22-10-8-21(9-11-22)13-15-12-18(20-19-15)14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,19,20)
InChIKeyTXNMPQMIXHYEEC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.62
Rot. Bonds5

About 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine

1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 29105712) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID29105712
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3cc(C4CC4)n[nH]3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-23-17-6-4-16(5-7-17)22-10-8-21(9-11-22)13-15-12-18(20-19-15)14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,19,20)
InChIKeyTXNMPQMIXHYEEC-UHFFFAOYSA-N
XLogP2.62
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine (CID 29105712) is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3cc(C4CC4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is TXNMPQMIXHYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-17-6-4-16(5-7-17)22-10-8-21(9-11-22)13-15-12-18(20-19-15)14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,19,20).
What are the key properties of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 312.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 29105712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).