N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide

C14H14Cl2N4O — CID 177062079

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1=CCNC1
InChIInChI=1S/C14H14Cl2N4O/c15-11-2-1-10(7-12(11)16)20-6-4-13(19-20)18-14(21)9-3-5-17-8-9/h1-3,7,17H,4-6,8H2,(H,18,19,21)
InChIKeySEEQHJHFVHDRNH-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.16
Rot. Bonds2

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide (PubChem CID 177062079) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
PubChem CID177062079
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1=CCNC1
InChIInChI=1S/C14H14Cl2N4O/c15-11-2-1-10(7-12(11)16)20-6-4-13(19-20)18-14(21)9-3-5-17-8-9/h1-3,7,17H,4-6,8H2,(H,18,19,21)
InChIKeySEEQHJHFVHDRNH-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide (CID 177062079) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1=CCNC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide?
The InChIKey is SEEQHJHFVHDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c15-11-2-1-10(7-12(11)16)20-6-4-13(19-20)18-14(21)9-3-5-17-8-9/h1-3,7,17H,4-6,8H2,(H,18,19,21).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 177062079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).