7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine

C14H12Cl2N4 — CID 170427510

IUPAC7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
SMILESNC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C14H12Cl2N4/c15-9-2-1-8-11(7-5-18-19-6-7)14-10(17)3-4-20(14)13(8)12(9)16/h1-2,5-6,10H,3-4,17H2,(H,18,19)
InChIKeyCNSZQCMSKBTWHP-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.74
Rot. Bonds1

About 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine

7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine (PubChem CID 170427510) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine.

Molecular Properties

Compound Name7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
PubChem CID170427510
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
SMILESNC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C14H12Cl2N4/c15-9-2-1-8-11(7-5-18-19-6-7)14-10(17)3-4-20(14)13(8)12(9)16/h1-2,5-6,10H,3-4,17H2,(H,18,19)
InChIKeyCNSZQCMSKBTWHP-UHFFFAOYSA-N
XLogP3.74
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
CID 127048005
6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine
CID 164617226
US20230391786, Example 123
CID 170426818
US20230391786, Example 122
CID 170427066
US20230391786, Example 208
CID 170427473
US20230391786, Example 188
CID 170427672
US20230391786, Example 20
CID 170426488
US20230391786, Example 154
CID 170426540
US20230391786, Example 12
CID 170426549
US20230391786, Example 240
CID 170426694
US20230391786, Example 311
CID 170426708
US20230391786, Example 297
CID 170426718

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
The IUPAC name of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine (CID 170427510) is 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine.
What is the SMILES notation for 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
The canonical SMILES for 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine is NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
The InChIKey is CNSZQCMSKBTWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c15-9-2-1-8-11(7-5-18-19-6-7)14-10(17)3-4-20(14)13(8)12(9)16/h1-2,5-6,10H,3-4,17H2,(H,18,19).
What are the key properties of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine has a molecular weight of 307.18 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine is sourced from PubChem (CID 170427510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).