2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide

C19H25N7O — CID 133360496

IUPAC2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide
SMILESCCc1nnc(Nc2cnn(CC(=O)NC3CCCC3)c2)c(C#N)c1CC
InChIInChI=1S/C19H25N7O/c1-3-15-16(9-20)19(25-24-17(15)4-2)23-14-10-21-26(11-14)12-18(27)22-13-7-5-6-8-13/h10-11,13H,3-8,12H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyWOPDYFVBUAATQE-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide

2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide (PubChem CID 133360496) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide
PubChem CID133360496
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide
SMILESCCc1nnc(Nc2cnn(CC(=O)NC3CCCC3)c2)c(C#N)c1CC
InChIInChI=1S/C19H25N7O/c1-3-15-16(9-20)19(25-24-17(15)4-2)23-14-10-21-26(11-14)12-18(27)22-13-7-5-6-8-13/h10-11,13H,3-8,12H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyWOPDYFVBUAATQE-UHFFFAOYSA-N
XLogP2.47
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
CID 80509479
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide (CID 133360496) is 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide is CCc1nnc(Nc2cnn(CC(=O)NC3CCCC3)c2)c(C#N)c1CC.
What is the InChIKey of 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide?
The InChIKey is WOPDYFVBUAATQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-3-15-16(9-20)19(25-24-17(15)4-2)23-14-10-21-26(11-14)12-18(27)22-13-7-5-6-8-13/h10-11,13H,3-8,12H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide?
2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide has a molecular weight of 367.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 133360496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).