N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

C18H19ClN4 — CID 21098469

IUPACN-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C18H19ClN4/c19-17-4-2-1-3-13(17)11-23-8-7-16(12-23)21-15-5-6-18-14(9-15)10-20-22-18/h1-6,9-10,16,21H,7-8,11-12H2,(H,20,22)
InChIKeyJQHQSWUFSHQDHF-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.90
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (PubChem CID 21098469) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
PubChem CID21098469
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C18H19ClN4/c19-17-4-2-1-3-13(17)11-23-8-7-16(12-23)21-15-5-6-18-14(9-15)10-20-22-18/h1-6,9-10,16,21H,7-8,11-12H2,(H,20,22)
InChIKeyJQHQSWUFSHQDHF-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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Related Compounds

5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
CID 156613395
N-(1-benzylpiperidin-4-yl)-1H-indazol-5-amine
CID 9836178
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
N-(1-(4-fluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9858433
N-(1H-5-Indazolyl)-N-(4-piperidyl)amine
CID 9899273
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
N-(1-(3,4-difluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9967878
1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-2-(3-chlorophenyl)ethanone
CID 16662116
1-(2,4-dichlorobenzyl)-3-(1H-indazol-5-yl)urea
CID 17838131
N-3-pyrrolidinyl-1H-indazol-5-amine
CID 17838141
N-(1-isobutylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838157

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (CID 21098469) is N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The InChIKey is JQHQSWUFSHQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-17-4-2-1-3-13(17)11-23-8-7-16(12-23)21-15-5-6-18-14(9-15)10-20-22-18/h1-6,9-10,16,21H,7-8,11-12H2,(H,20,22).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
N-[1-[(2-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-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 21098469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).