1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide

C13H18N6O — CID 106894634

IUPAC1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccnn2)cnn1CCCN
InChIInChI=1S/C13H18N6O/c1-10-12(9-17-19(10)7-3-5-14)13(20)15-8-11-4-2-6-16-18-11/h2,4,6,9H,3,5,7-8,14H2,1H3,(H,15,20)
InChIKeyZLUXUIXWCNWIPV-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.26
Rot. Bonds6

About 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide

1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 106894634) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID106894634
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccnn2)cnn1CCCN
InChIInChI=1S/C13H18N6O/c1-10-12(9-17-19(10)7-3-5-14)13(20)15-8-11-4-2-6-16-18-11/h2,4,6,9H,3,5,7-8,14H2,1H3,(H,15,20)
InChIKeyZLUXUIXWCNWIPV-UHFFFAOYSA-N
XLogP0.26
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 106033658
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
CID 104758377
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 64517209
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
CID 107860485
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
2-(3-aminoprop-1-ynyl)-5-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106897509
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide (CID 106894634) is 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccnn2)cnn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZLUXUIXWCNWIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-12(9-17-19(10)7-3-5-14)13(20)15-8-11-4-2-6-16-18-11/h2,4,6,9H,3,5,7-8,14H2,1H3,(H,15,20).
What are the key properties of 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide?
1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 106894634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).