N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide

C14H17Cl2N5O — CID 177062410

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1CNCCN1
InChIInChI=1S/C14H17Cl2N5O/c15-10-2-1-9(7-11(10)16)21-6-3-13(20-21)19-14(22)12-8-17-4-5-18-12/h1-2,7,12,17-18H,3-6,8H2,(H,19,20,22)
InChIKeyHYENGXXEFSTSRD-UHFFFAOYSA-N
MW342.23 g/mol
LogP1.19
Rot. Bonds2

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide (PubChem CID 177062410) has the molecular formula C14H17Cl2N5O and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
PubChem CID177062410
Molecular FormulaC14H17Cl2N5O
Molecular Weight342.23 g/mol
Exact Mass341.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1CNCCN1
InChIInChI=1S/C14H17Cl2N5O/c15-10-2-1-9(7-11(10)16)21-6-3-13(20-21)19-14(22)12-8-17-4-5-18-12/h1-2,7,12,17-18H,3-6,8H2,(H,19,20,22)
InChIKeyHYENGXXEFSTSRD-UHFFFAOYSA-N
XLogP1.19
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide (CID 177062410) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1CNCCN1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide?
The InChIKey is HYENGXXEFSTSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O/c15-10-2-1-9(7-11(10)16)21-6-3-13(20-21)19-14(22)12-8-17-4-5-18-12/h1-2,7,12,17-18H,3-6,8H2,(H,19,20,22).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide is sourced from PubChem (CID 177062410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).