1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide

C16H19N5O2 — CID 162705866

IUPAC1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)N(C)C2CNC2)cc1)c1cn[nH]c1
InChIInChI=1S/C16H19N5O2/c1-20(13-7-17-8-13)15(22)11-3-5-12(6-4-11)16(23)21(2)14-9-18-19-10-14/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,18,19)
InChIKeySTCIESNWQLBDQZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.73
Rot. Bonds4

About 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide

1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide (PubChem CID 162705866) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide
PubChem CID162705866
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)N(C)C2CNC2)cc1)c1cn[nH]c1
InChIInChI=1S/C16H19N5O2/c1-20(13-7-17-8-13)15(22)11-3-5-12(6-4-11)16(23)21(2)14-9-18-19-10-14/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,18,19)
InChIKeySTCIESNWQLBDQZ-UHFFFAOYSA-N
XLogP0.73
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 154852891
4-N-(2-aminopyrimidin-5-yl)-1-N-(azetidin-3-yl)-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 162705853
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
CID 162705900
N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
CID 66185464
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide
CID 167767821
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471

Frequently Asked Questions

What is the IUPAC name of 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide (CID 162705866) is 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide is CN(C(=O)c1ccc(C(=O)N(C)C2CNC2)cc1)c1cn[nH]c1.
What is the InChIKey of 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide?
The InChIKey is STCIESNWQLBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20(13-7-17-8-13)15(22)11-3-5-12(6-4-11)16(23)21(2)14-9-18-19-10-14/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide?
1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 162705866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).