4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole

C16H19ClN6 — CID 77095137

IUPAC4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
SMILESCc1nc(C2CCCN2Cc2nn(C)c3cccc(Cl)c23)n[nH]1
InChIInChI=1S/C16H19ClN6/c1-10-18-16(20-19-10)14-7-4-8-23(14)9-12-15-11(17)5-3-6-13(15)22(2)21-12/h3,5-6,14H,4,7-9H2,1-2H3,(H,18,19,20)
InChIKeyORZIQSQFZBLHSV-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.99
Rot. Bonds3

About 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole

4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole (PubChem CID 77095137) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
PubChem CID77095137
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
SMILESCc1nc(C2CCCN2Cc2nn(C)c3cccc(Cl)c23)n[nH]1
InChIInChI=1S/C16H19ClN6/c1-10-18-16(20-19-10)14-7-4-8-23(14)9-12-15-11(17)5-3-6-13(15)22(2)21-12/h3,5-6,14H,4,7-9H2,1-2H3,(H,18,19,20)
InChIKeyORZIQSQFZBLHSV-UHFFFAOYSA-N
XLogP2.99
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 129492265
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74232912
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
4-chloro-5-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 77082520
(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 129492200
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 74246375
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248
3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
CID 129492206
5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56877054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole?
The IUPAC name of 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole (CID 77095137) is 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole.
What is the SMILES notation for 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole?
The canonical SMILES for 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole is Cc1nc(C2CCCN2Cc2nn(C)c3cccc(Cl)c23)n[nH]1.
What is the InChIKey of 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole?
The InChIKey is ORZIQSQFZBLHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c1-10-18-16(20-19-10)14-7-4-8-23(14)9-12-15-11(17)5-3-6-13(15)22(2)21-12/h3,5-6,14H,4,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole?
4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole has a molecular weight of 330.82 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole is sourced from PubChem (CID 77095137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).