N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide

C19H18N4O2 — CID 126832703

IUPACN-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1
InChIInChI=1S/C19H18N4O2/c1-12-4-2-3-5-15(12)19(25)21-14-8-9-17(20-11-14)23-18(24)10-16(22-23)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,21,25)
InChIKeyWLTRTXOPTMKCNX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds4

About N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide

N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide (PubChem CID 126832703) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide
PubChem CID126832703
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1
InChIInChI=1S/C19H18N4O2/c1-12-4-2-3-5-15(12)19(25)21-14-8-9-17(20-11-14)23-18(24)10-16(22-23)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,21,25)
InChIKeyWLTRTXOPTMKCNX-UHFFFAOYSA-N
XLogP3.15
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide (CID 126832703) is N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1.
What is the InChIKey of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is WLTRTXOPTMKCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-4-2-3-5-15(12)19(25)21-14-8-9-17(20-11-14)23-18(24)10-16(22-23)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,21,25).
What are the key properties of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide?
N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 126832703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).