N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide

C14H17N5O2 — CID 167973198

IUPACN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnnc(C)c2)c1
InChIInChI=1S/C14H17N5O2/c1-8-5-16-19(7-8)13-11(4-12(13)20)17-14(21)10-3-9(2)18-15-6-10/h3,5-7,11-13,20H,4H2,1-2H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyGAKMNALKVSMQDL-YNEHKIRRSA-N
MW287.32 g/mol
LogP0.39
Rot. Bonds3

About N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide

N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide (PubChem CID 167973198) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide
PubChem CID167973198
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnnc(C)c2)c1
InChIInChI=1S/C14H17N5O2/c1-8-5-16-19(7-8)13-11(4-12(13)20)17-14(21)10-3-9(2)18-15-6-10/h3,5-7,11-13,20H,4H2,1-2H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyGAKMNALKVSMQDL-YNEHKIRRSA-N
XLogP0.39
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide (CID 167973198) is N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide is Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnnc(C)c2)c1.
What is the InChIKey of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide?
The InChIKey is GAKMNALKVSMQDL-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-5-16-19(7-8)13-11(4-12(13)20)17-14(21)10-3-9(2)18-15-6-10/h3,5-7,11-13,20H,4H2,1-2H3,(H,17,21)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide?
N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 167973198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).