N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide

C23H27N5O — CID 39302351

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H27N5O/c29-23(21-17-25-28(19-21)22-9-5-2-6-10-22)24-11-12-26-13-15-27(16-14-26)18-20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,24,29)
InChIKeyDDHWNAZIGMSMGK-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 39302351) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID39302351
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H27N5O/c29-23(21-17-25-28(19-21)22-9-5-2-6-10-22)24-11-12-26-13-15-27(16-14-26)18-20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,24,29)
InChIKeyDDHWNAZIGMSMGK-UHFFFAOYSA-N
XLogP2.42
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638
1-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyrazole-4-carboxamide
CID 47056562
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 18132485
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide
CID 114793561

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 39302351) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DDHWNAZIGMSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(21-17-25-28(19-21)22-9-5-2-6-10-22)24-11-12-26-13-15-27(16-14-26)18-20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,24,29).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 39302351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).