2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one

C14H18ClN5O — CID 103222013

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
SMILESCc1nn(C)c(Cl)c1Cn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C14H18ClN5O/c1-9-12(14(15)19(2)18-9)8-20-13(21)5-11(7-17-20)16-6-10-3-4-10/h5,7,10,16H,3-4,6,8H2,1-2H3
InChIKeyDOJKWMONFQLQRO-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.81
Rot. Bonds5

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one (PubChem CID 103222013) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
PubChem CID103222013
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
SMILESCc1nn(C)c(Cl)c1Cn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C14H18ClN5O/c1-9-12(14(15)19(2)18-9)8-20-13(21)5-11(7-17-20)16-6-10-3-4-10/h5,7,10,16H,3-4,6,8H2,1-2H3
InChIKeyDOJKWMONFQLQRO-UHFFFAOYSA-N
XLogP1.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223738
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 103221865
2-[(4-bromophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221923
5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103221824
5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 103221754
4-[[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103221819
4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103221934
5-[2-aminoethyl(methyl)amino]-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221823
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 103221884

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one (CID 103222013) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one is Cc1nn(C)c(Cl)c1Cn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
The InChIKey is DOJKWMONFQLQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9-12(14(15)19(2)18-9)8-20-13(21)5-11(7-17-20)16-6-10-3-4-10/h5,7,10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one has a molecular weight of 307.79 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one is sourced from PubChem (CID 103222013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).