N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide

C18H25N5OS — CID 171782342

IUPACN-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCSC(C)C(C)n1ncc(C(=O)N(CC2CC2)c2ccnnc2)c1C
InChIInChI=1S/C18H25N5OS/c1-12(14(3)25-4)23-13(2)17(10-21-23)18(24)22(11-15-5-6-15)16-7-8-19-20-9-16/h7-10,12,14-15H,5-6,11H2,1-4H3
InChIKeyNZPBFAJMBVEHRO-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.35
Rot. Bonds7

About N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide

N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 171782342) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID171782342
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCSC(C)C(C)n1ncc(C(=O)N(CC2CC2)c2ccnnc2)c1C
InChIInChI=1S/C18H25N5OS/c1-12(14(3)25-4)23-13(2)17(10-21-23)18(24)22(11-15-5-6-15)16-7-8-19-20-9-16/h7-10,12,14-15H,5-6,11H2,1-4H3
InChIKeyNZPBFAJMBVEHRO-UHFFFAOYSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 171782342) is N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide is CSC(C)C(C)n1ncc(C(=O)N(CC2CC2)c2ccnnc2)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is NZPBFAJMBVEHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12(14(3)25-4)23-13(2)17(10-21-23)18(24)22(11-15-5-6-15)16-7-8-19-20-9-16/h7-10,12,14-15H,5-6,11H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 171782342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).