N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

C23H27N5O — CID 55842498

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H27N5O/c1-2-27-12-14-28(15-13-27)17-18-8-10-20(11-9-18)25-23(29)21-16-24-26-22(21)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3,(H,24,26)(H,25,29)
InChIKeyIPUWNVAUGCBWHM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.47
Rot. Bonds6

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 55842498) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID55842498
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H27N5O/c1-2-27-12-14-28(15-13-27)17-18-8-10-20(11-9-18)25-23(29)21-16-24-26-22(21)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3,(H,24,26)(H,25,29)
InChIKeyIPUWNVAUGCBWHM-UHFFFAOYSA-N
XLogP3.47
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 55842498) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is IPUWNVAUGCBWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-27-12-14-28(15-13-27)17-18-8-10-20(11-9-18)25-23(29)21-16-24-26-22(21)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3,(H,24,26)(H,25,29).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55842498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).