7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole

C14H13ClN6 — CID 176780864

IUPAC7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole
SMILESClc1cccc2c(-n3cccn3)nn(CC3=NCCN3)c12
InChIInChI=1S/C14H13ClN6/c15-11-4-1-3-10-13(11)21(9-12-16-6-7-17-12)19-14(10)20-8-2-5-18-20/h1-5,8H,6-7,9H2,(H,16,17)
InChIKeyMDNSTFQMABVNKO-UHFFFAOYSA-N
MW300.75 g/mol
LogP1.88
Rot. Bonds3

About 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole

7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole (PubChem CID 176780864) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole.

Molecular Properties

Compound Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole
PubChem CID176780864
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole
SMILESClc1cccc2c(-n3cccn3)nn(CC3=NCCN3)c12
InChIInChI=1S/C14H13ClN6/c15-11-4-1-3-10-13(11)21(9-12-16-6-7-17-12)19-14(10)20-8-2-5-18-20/h1-5,8H,6-7,9H2,(H,16,17)
InChIKeyMDNSTFQMABVNKO-UHFFFAOYSA-N
XLogP1.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole?
The IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole (CID 176780864) is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole.
What is the SMILES notation for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole?
The canonical SMILES for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole is Clc1cccc2c(-n3cccn3)nn(CC3=NCCN3)c12.
What is the InChIKey of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole?
The InChIKey is MDNSTFQMABVNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c15-11-4-1-3-10-13(11)21(9-12-16-6-7-17-12)19-14(10)20-8-2-5-18-20/h1-5,8H,6-7,9H2,(H,16,17).
What are the key properties of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole?
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole has a molecular weight of 300.75 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole is sourced from PubChem (CID 176780864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).