N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide

C14H19N5O — CID 97096504

IUPACN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1ccnnc1C)c1cnn(CC)c1
InChIInChI=1S/C14H19N5O/c1-4-13(11-8-16-19(5-2)9-11)17-14(20)12-6-7-15-18-10(12)3/h6-9,13H,4-5H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyNNMLAXWVXSXPFD-CYBMUJFWSA-N
MW273.34 g/mol
LogP1.88
Rot. Bonds5

About N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide

N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide (PubChem CID 97096504) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide
PubChem CID97096504
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1ccnnc1C)c1cnn(CC)c1
InChIInChI=1S/C14H19N5O/c1-4-13(11-8-16-19(5-2)9-11)17-14(20)12-6-7-15-18-10(12)3/h6-9,13H,4-5H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyNNMLAXWVXSXPFD-CYBMUJFWSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95916438
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 95330806
4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119069701
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine
CID 97226193
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea
CID 95973620
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide
CID 97217056
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 125179193

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide (CID 97096504) is N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide is CC[C@@H](NC(=O)c1ccnnc1C)c1cnn(CC)c1.
What is the InChIKey of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide?
The InChIKey is NNMLAXWVXSXPFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-13(11-8-16-19(5-2)9-11)17-14(20)12-6-7-15-18-10(12)3/h6-9,13H,4-5H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide?
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide is sourced from PubChem (CID 97096504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).