1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine

C17H16ClN5 — CID 171793594

IUPAC1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
SMILESNCCc1cc(Nc2ccn[nH]2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C17H16ClN5/c18-11-1-2-15-13(8-11)14-9-12(21-16-4-6-20-23-16)7-10(3-5-19)17(14)22-15/h1-2,4,6-9,22H,3,5,19H2,(H2,20,21,23)
InChIKeyIFYALWQRORIHLX-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine

1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine (PubChem CID 171793594) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
PubChem CID171793594
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
SMILESNCCc1cc(Nc2ccn[nH]2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C17H16ClN5/c18-11-1-2-15-13(8-11)14-9-12(21-16-4-6-20-23-16)7-10(3-5-19)17(14)22-15/h1-2,4,6-9,22H,3,5,19H2,(H2,20,21,23)
InChIKeyIFYALWQRORIHLX-UHFFFAOYSA-N
XLogP3.94
TPSA82.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine
CID 171793896
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171794080
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
CID 174338579
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine
CID 171793556
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine?
The IUPAC name of 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine (CID 171793594) is 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine is NCCc1cc(Nc2ccn[nH]2)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine?
The InChIKey is IFYALWQRORIHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c18-11-1-2-15-13(8-11)14-9-12(21-16-4-6-20-23-16)7-10(3-5-19)17(14)22-15/h1-2,4,6-9,22H,3,5,19H2,(H2,20,21,23).
What are the key properties of 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine?
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine has a molecular weight of 325.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine is sourced from PubChem (CID 171793594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).