1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine

C20H28N4 — CID 46963008

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine
SMILESCc1nn(C)cc1CN1CCN(CC2(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N4/c1-17-18(14-22(2)21-17)15-23-10-12-24(13-11-23)16-20(8-9-20)19-6-4-3-5-7-19/h3-7,14H,8-13,15-16H2,1-2H3
InChIKeyDNSUMRCEMFKXPL-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.58
Rot. Bonds5

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine (PubChem CID 46963008) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine
PubChem CID46963008
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine
SMILESCc1nn(C)cc1CN1CCN(CC2(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N4/c1-17-18(14-22(2)21-17)15-23-10-12-24(13-11-23)16-20(8-9-20)19-6-4-3-5-7-19/h3-7,14H,8-13,15-16H2,1-2H3
InChIKeyDNSUMRCEMFKXPL-UHFFFAOYSA-N
XLogP2.58
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine (CID 46963008) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine is Cc1nn(C)cc1CN1CCN(CC2(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine?
The InChIKey is DNSUMRCEMFKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-17-18(14-22(2)21-17)15-23-10-12-24(13-11-23)16-20(8-9-20)19-6-4-3-5-7-19/h3-7,14H,8-13,15-16H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 46963008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).