3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide

C14H17Cl2N5O2 — CID 6413541

IUPAC3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide
SMILESCOC(C)(C)CCn1cc(NC(=O)c2cc(Cl)nnc2Cl)cn1
InChIInChI=1S/C14H17Cl2N5O2/c1-14(2,23-3)4-5-21-8-9(7-17-21)18-13(22)10-6-11(15)19-20-12(10)16/h6-8H,4-5H2,1-3H3,(H,18,22)
InChIKeyVUMPUXVLRKKKRT-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.05
Rot. Bonds6

About 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide

3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide (PubChem CID 6413541) has the molecular formula C14H17Cl2N5O2 and a molecular weight of 358.23 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide
PubChem CID6413541
Molecular FormulaC14H17Cl2N5O2
Molecular Weight358.23 g/mol
Exact Mass357.08
IUPAC Name3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide
SMILESCOC(C)(C)CCn1cc(NC(=O)c2cc(Cl)nnc2Cl)cn1
InChIInChI=1S/C14H17Cl2N5O2/c1-14(2,23-3)4-5-21-8-9(7-17-21)18-13(22)10-6-11(15)19-20-12(10)16/h6-8H,4-5H2,1-3H3,(H,18,22)
InChIKeyVUMPUXVLRKKKRT-UHFFFAOYSA-N
XLogP3.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-2-sulfanylidene-1,3-thiazolidine-4-carboxamide
CID 74227217
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
ethyl 1-(3-methoxy-3-methylbutyl)pyrazole-4-carboxylate
CID 103034259
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide (CID 6413541) is 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide is COC(C)(C)CCn1cc(NC(=O)c2cc(Cl)nnc2Cl)cn1.
What is the InChIKey of 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide?
The InChIKey is VUMPUXVLRKKKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O2/c1-14(2,23-3)4-5-21-8-9(7-17-21)18-13(22)10-6-11(15)19-20-12(10)16/h6-8H,4-5H2,1-3H3,(H,18,22).
What are the key properties of 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide?
3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 6413541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).