5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine

C17H23N5 — CID 171358343

IUPAC5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine
SMILESCN1CCN(c2ccc(Nc3cc(C4CC4)[nH]n3)cc2)CC1
InChIInChI=1S/C17H23N5/c1-21-8-10-22(11-9-21)15-6-4-14(5-7-15)18-17-12-16(19-20-17)13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,18,19,20)
InChIKeySNSPUAQSSHBUCV-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.78
Rot. Bonds4

About 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine

5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 171358343) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID171358343
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine
SMILESCN1CCN(c2ccc(Nc3cc(C4CC4)[nH]n3)cc2)CC1
InChIInChI=1S/C17H23N5/c1-21-8-10-22(11-9-21)15-6-4-14(5-7-15)18-17-12-16(19-20-17)13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,18,19,20)
InChIKeySNSPUAQSSHBUCV-UHFFFAOYSA-N
XLogP2.78
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine (CID 171358343) is 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine is CN1CCN(c2ccc(Nc3cc(C4CC4)[nH]n3)cc2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is SNSPUAQSSHBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-21-8-10-22(11-9-21)15-6-4-14(5-7-15)18-17-12-16(19-20-17)13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,18,19,20).
What are the key properties of 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine?
5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 297.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 171358343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).