2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine

C18H18ClN7 — CID 171793695

IUPAC2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
SMILESNC(N)=NCCc1cc(Nc2cn[nH]c2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C18H18ClN7/c19-11-1-2-16-14(6-11)15-7-12(25-13-8-23-24-9-13)5-10(17(15)26-16)3-4-22-18(20)21/h1-2,5-9,25-26H,3-4H2,(H,23,24)(H4,20,21,22)
InChIKeyLTSJKZGDWVDLTH-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.26
Rot. Bonds5

About 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine

2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine (PubChem CID 171793695) has the molecular formula C18H18ClN7 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
PubChem CID171793695
Molecular FormulaC18H18ClN7
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC Name2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
SMILESNC(N)=NCCc1cc(Nc2cn[nH]c2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C18H18ClN7/c19-11-1-2-16-14(6-11)15-7-12(25-13-8-23-24-9-13)5-10(17(15)26-16)3-4-22-18(20)21/h1-2,5-9,25-26H,3-4H2,(H,23,24)(H4,20,21,22)
InChIKeyLTSJKZGDWVDLTH-UHFFFAOYSA-N
XLogP3.26
TPSA120.90 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
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
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine
CID 171793896
3,4-dichloro-N'-[6-chloro-1-[2-(diaminomethylideneamino)ethyl]-9H-carbazol-3-yl]benzenecarboximidamide
CID 171793383
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
CID 171793946

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine?
The IUPAC name of 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine (CID 171793695) is 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine?
The canonical SMILES for 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine is NC(N)=NCCc1cc(Nc2cn[nH]c2)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine?
The InChIKey is LTSJKZGDWVDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7/c19-11-1-2-16-14(6-11)15-7-12(25-13-8-23-24-9-13)5-10(17(15)26-16)3-4-22-18(20)21/h1-2,5-9,25-26H,3-4H2,(H,23,24)(H4,20,21,22).
What are the key properties of 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine?
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine has a molecular weight of 367.84 g/mol, XLogP of 3.26, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine is sourced from PubChem (CID 171793695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).