4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole

C17H20ClN5 — CID 77085597

IUPAC4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole
SMILESCc1cc(C)n(C2CN(Cc3nn(C)c4cccc(Cl)c34)C2)n1
InChIInChI=1S/C17H20ClN5/c1-11-7-12(2)23(19-11)13-8-22(9-13)10-15-17-14(18)5-4-6-16(17)21(3)20-15/h4-7,13H,8-10H2,1-3H3
InChIKeyZNHDZEJAZBQXOP-UHFFFAOYSA-N
MW329.84 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole

4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole (PubChem CID 77085597) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole.

Molecular Properties

Compound Name4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole
PubChem CID77085597
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole
SMILESCc1cc(C)n(C2CN(Cc3nn(C)c4cccc(Cl)c34)C2)n1
InChIInChI=1S/C17H20ClN5/c1-11-7-12(2)23(19-11)13-8-22(9-13)10-15-17-14(18)5-4-6-16(17)21(3)20-15/h4-7,13H,8-10H2,1-3H3
InChIKeyZNHDZEJAZBQXOP-UHFFFAOYSA-N
XLogP3.10
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 70783312
(3S,4S)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-(dimethylamino)pyrrolidin-3-ol
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(3S,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
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(3S,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134705191
(4S,9aR)-8-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 154821468
[(3R,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72872412
4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
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4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
CID 77088978
(3R,4S)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 163314460
3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
CID 86775120
[(3aR,7aR)-2-[(4-chloro-1-methylindazol-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137342820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole?
The IUPAC name of 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole (CID 77085597) is 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole.
What is the SMILES notation for 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole?
The canonical SMILES for 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole is Cc1cc(C)n(C2CN(Cc3nn(C)c4cccc(Cl)c34)C2)n1.
What is the InChIKey of 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole?
The InChIKey is ZNHDZEJAZBQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c1-11-7-12(2)23(19-11)13-8-22(9-13)10-15-17-14(18)5-4-6-16(17)21(3)20-15/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole?
4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole has a molecular weight of 329.84 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole is sourced from PubChem (CID 77085597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).