5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one

C15H17N5O — CID 43709019

IUPAC5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
SMILESCc1n[nH]c(C)c1CNc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H17N5O/c1-9-13(10(2)18-17-9)8-16-12-5-3-11(4-6-12)14-7-15(21)20-19-14/h3-7,16H,8H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyLBJDRTFGVRDCIM-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.32
Rot. Bonds4

About 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one

5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one (PubChem CID 43709019) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
PubChem CID43709019
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
SMILESCc1n[nH]c(C)c1CNc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H17N5O/c1-9-13(10(2)18-17-9)8-16-12-5-3-11(4-6-12)14-7-15(21)20-19-14/h3-7,16H,8H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyLBJDRTFGVRDCIM-UHFFFAOYSA-N
XLogP2.32
TPSA89.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one with MolForge

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Related Compounds

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43724210
5-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 66119554
4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 43683897
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 43679653
5-[4-(3-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 43708921
4-(difluoromethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 43644895
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43644812
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 126820493

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one (CID 43709019) is 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one is Cc1n[nH]c(C)c1CNc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is LBJDRTFGVRDCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-13(10(2)18-17-9)8-16-12-5-3-11(4-6-12)14-7-15(21)20-19-14/h3-7,16H,8H2,1-2H3,(H,17,18)(H2,19,20,21).
What are the key properties of 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 283.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 43709019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).