5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide

C15H21N7O — CID 121410158

IUPAC5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESCN1CCN(c2ccc(Nc3n[nH]c(N)c3C(N)=O)cc2)CC1
InChIInChI=1S/C15H21N7O/c1-21-6-8-22(9-7-21)11-4-2-10(3-5-11)18-15-12(14(17)23)13(16)19-20-15/h2-5H,6-9H2,1H3,(H2,17,23)(H4,16,18,19,20)
InChIKeyGLYMBPDSPMABSE-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.59
Rot. Bonds4

About 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide

5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 121410158) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID121410158
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESCN1CCN(c2ccc(Nc3n[nH]c(N)c3C(N)=O)cc2)CC1
InChIInChI=1S/C15H21N7O/c1-21-6-8-22(9-7-21)11-4-2-10(3-5-11)18-15-12(14(17)23)13(16)19-20-15/h2-5H,6-9H2,1H3,(H2,17,23)(H4,16,18,19,20)
InChIKeyGLYMBPDSPMABSE-UHFFFAOYSA-N
XLogP0.59
TPSA116.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide (CID 121410158) is 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide is CN1CCN(c2ccc(Nc3n[nH]c(N)c3C(N)=O)cc2)CC1.
What is the InChIKey of 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is GLYMBPDSPMABSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-21-6-8-22(9-7-21)11-4-2-10(3-5-11)18-15-12(14(17)23)13(16)19-20-15/h2-5H,6-9H2,1H3,(H2,17,23)(H4,16,18,19,20).
What are the key properties of 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).