2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride

C14H18Cl2N4O2 — CID 141091406

IUPAC2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride
SMILESCCCc1c(C(N)=O)cc(-c2cn[nH]c2)cc1C(N)=O.Cl.Cl
InChIInChI=1S/C14H16N4O2.2ClH/c1-2-3-10-11(13(15)19)4-8(5-12(10)14(16)20)9-6-17-18-7-9;;/h4-7H,2-3H2,1H3,(H2,15,19)(H2,16,20)(H,17,18);2*1H
InChIKeyIUZGBIGWEMBOKS-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.07
Rot. Bonds5

About 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride

2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride (PubChem CID 141091406) has the molecular formula C14H18Cl2N4O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride.

Molecular Properties

Compound Name2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride
PubChem CID141091406
Molecular FormulaC14H18Cl2N4O2
Molecular Weight345.23 g/mol
Exact Mass344.08
IUPAC Name2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride
SMILESCCCc1c(C(N)=O)cc(-c2cn[nH]c2)cc1C(N)=O.Cl.Cl
InChIInChI=1S/C14H16N4O2.2ClH/c1-2-3-10-11(13(15)19)4-8(5-12(10)14(16)20)9-6-17-18-7-9;;/h4-7H,2-3H2,1H3,(H2,15,19)(H2,16,20)(H,17,18);2*1H
InChIKeyIUZGBIGWEMBOKS-UHFFFAOYSA-N
XLogP2.07
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 90385104
3-methyl-4-(1H-pyrazol-4-yl)-N-[[3-[[(2R)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]methyl]benzamide
CID 118663092
3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90385122
3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662972
1-(1H-pyrazol-4-yl)anthracene-9,10-dione;hydrochloride
CID 154697574
1-[3-(1H-pyrazol-4-yl)phenyl]ethan-1-one
CID 121358272
5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide
CID 68607689
3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide
CID 68758842
2-(1h-Pyrazol-4-yl)-5-trifluoromethyl-benzaldehyde
CID 87521767
N-[(1S)-2-acetamido-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 90385103
3-Methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90385109
3-methyl-N-[(1R)-3-(methylamino)-3-oxo-1-phenylpropyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90385121

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride?
The IUPAC name of 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride (CID 141091406) is 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride.
What is the SMILES notation for 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride?
The canonical SMILES for 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride is CCCc1c(C(N)=O)cc(-c2cn[nH]c2)cc1C(N)=O.Cl.Cl.
What is the InChIKey of 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride?
The InChIKey is IUZGBIGWEMBOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.2ClH/c1-2-3-10-11(13(15)19)4-8(5-12(10)14(16)20)9-6-17-18-7-9;;/h4-7H,2-3H2,1H3,(H2,15,19)(H2,16,20)(H,17,18);2*1H.
What are the key properties of 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride?
2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride has a molecular weight of 345.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide;dihydrochloride is sourced from PubChem (CID 141091406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).