3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide

C26H33N7O2 — CID 71765303

IUPAC3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C26H33N7O2/c27-24(35)23-25(28-17-18-3-9-22(34)10-4-18)30-31-26(23)29-19-5-7-20(8-6-19)33-15-11-21(12-16-33)32-13-1-2-14-32/h3-10,21,34H,1-2,11-17H2,(H2,27,35)(H3,28,29,30,31)
InChIKeyMRDNWYZLXBHDEN-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.63
Rot. Bonds8

About 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide

3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 71765303) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID71765303
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C26H33N7O2/c27-24(35)23-25(28-17-18-3-9-22(34)10-4-18)30-31-26(23)29-19-5-7-20(8-6-19)33-15-11-21(12-16-33)32-13-1-2-14-32/h3-10,21,34H,1-2,11-17H2,(H2,27,35)(H3,28,29,30,31)
InChIKeyMRDNWYZLXBHDEN-UHFFFAOYSA-N
XLogP3.63
TPSA122.54 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide (CID 71765303) is 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(N2CCC(N3CCCC3)CC2)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is MRDNWYZLXBHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c27-24(35)23-25(28-17-18-3-9-22(34)10-4-18)30-31-26(23)29-19-5-7-20(8-6-19)33-15-11-21(12-16-33)32-13-1-2-14-32/h3-10,21,34H,1-2,11-17H2,(H2,27,35)(H3,28,29,30,31).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 3.63, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).