N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

C18H18Cl2N4 — CID 57446054

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1Cl
InChIInChI=1S/C18H18Cl2N4/c19-16-3-1-12(7-17(16)20)10-24-6-5-15(11-24)22-14-2-4-18-13(8-14)9-21-23-18/h1-4,7-9,15,22H,5-6,10-11H2,(H,21,23)
InChIKeyYEQSMZIHQJMAEK-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.56
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (PubChem CID 57446054) has the molecular formula C18H18Cl2N4 and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
PubChem CID57446054
Molecular FormulaC18H18Cl2N4
Molecular Weight361.28 g/mol
Exact Mass360.09
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1Cl
InChIInChI=1S/C18H18Cl2N4/c19-16-3-1-12(7-17(16)20)10-24-6-5-15(11-24)22-14-2-4-18-13(8-14)9-21-23-18/h1-4,7-9,15,22H,5-6,10-11H2,(H,21,23)
InChIKeyYEQSMZIHQJMAEK-UHFFFAOYSA-N
XLogP4.56
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide
CID 143915550
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (CID 57446054) is N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1Cl.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The InChIKey is YEQSMZIHQJMAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4/c19-16-3-1-12(7-17(16)20)10-24-6-5-15(11-24)22-14-2-4-18-13(8-14)9-21-23-18/h1-4,7-9,15,22H,5-6,10-11H2,(H,21,23).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine has a molecular weight of 361.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 57446054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).