N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

C18H19ClN4 — CID 21098480

IUPACN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C18H19ClN4/c19-15-3-1-2-13(8-15)11-23-7-6-17(12-23)21-16-4-5-18-14(9-16)10-20-22-18/h1-5,8-10,17,21H,6-7,11-12H2,(H,20,22)
InChIKeyDBLHWYWZXQGUJM-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.90
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (PubChem CID 21098480) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
PubChem CID21098480
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C18H19ClN4/c19-15-3-1-2-13(8-15)11-23-7-6-17(12-23)21-16-4-5-18-14(9-16)10-20-22-18/h1-5,8-10,17,21H,6-7,11-12H2,(H,20,22)
InChIKeyDBLHWYWZXQGUJM-UHFFFAOYSA-N
XLogP3.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (CID 21098480) is N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The InChIKey is DBLHWYWZXQGUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-15-3-1-2-13(8-15)11-23-7-6-17(12-23)21-16-4-5-18-14(9-16)10-20-22-18/h1-5,8-10,17,21H,6-7,11-12H2,(H,20,22).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine has a molecular weight of 326.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 21098480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).