ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate

C25H30N6O3 — CID 70654694

IUPACethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)cc1
InChIInChI=1S/C25H30N6O3/c1-3-34-25(33)26-17-18-4-6-19(7-5-18)22-16-23(29-28-22)27-24(32)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,33)(H2,27,28,29,32)
InChIKeyHFXKSCMJQILIDT-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.33
Rot. Bonds7

About ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate

ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate (PubChem CID 70654694) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
PubChem CID70654694
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Nameethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)cc1
InChIInChI=1S/C25H30N6O3/c1-3-34-25(33)26-17-18-4-6-19(7-5-18)22-16-23(29-28-22)27-24(32)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,33)(H2,27,28,29,32)
InChIKeyHFXKSCMJQILIDT-UHFFFAOYSA-N
XLogP3.33
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate 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 ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate (CID 70654694) is ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)cc1.
What is the InChIKey of ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
The InChIKey is HFXKSCMJQILIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-3-34-25(33)26-17-18-4-6-19(7-5-18)22-16-23(29-28-22)27-24(32)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,33)(H2,27,28,29,32).
What are the key properties of ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 70654694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).