1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine

C19H20ClN7 — CID 171793896

IUPAC1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCc1cc(Nc2ccn[nH]2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C19H20ClN7/c1-22-19(21)23-6-4-11-8-13(25-17-5-7-24-27-17)10-15-14-9-12(20)2-3-16(14)26-18(11)15/h2-3,5,7-10,26H,4,6H2,1H3,(H3,21,22,23)(H2,24,25,27)
InChIKeyXBMULZRRJGZXID-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.52
Rot. Bonds5

About 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine

1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine (PubChem CID 171793896) has the molecular formula C19H20ClN7 and a molecular weight of 381.87 g/mol. Its IUPAC name is 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine
PubChem CID171793896
Molecular FormulaC19H20ClN7
Molecular Weight381.87 g/mol
Exact Mass381.15
IUPAC Name1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCc1cc(Nc2ccn[nH]2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C19H20ClN7/c1-22-19(21)23-6-4-11-8-13(25-17-5-7-24-27-17)10-15-14-9-12(20)2-3-16(14)26-18(11)15/h2-3,5,7-10,26H,4,6H2,1H3,(H3,21,22,23)(H2,24,25,27)
InChIKeyXBMULZRRJGZXID-UHFFFAOYSA-N
XLogP3.52
TPSA106.91 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.52
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

1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
tert-butyl N-[1-[2-[6-chloro-3-[(5-chloro-6-methyl-3-pyridinyl)amino]-9H-carbazol-1-yl]ethylamino]ethenyl]carbamate
CID 171793431
N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171794080
CID 171793503
CID 171793503
N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
CID 174338579

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine (CID 171793896) is 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine is C/N=C(\N)NCCc1cc(Nc2ccn[nH]2)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine?
The InChIKey is XBMULZRRJGZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7/c1-22-19(21)23-6-4-11-8-13(25-17-5-7-24-27-17)10-15-14-9-12(20)2-3-16(14)26-18(11)15/h2-3,5,7-10,26H,4,6H2,1H3,(H3,21,22,23)(H2,24,25,27).
What are the key properties of 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine?
1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine has a molecular weight of 381.87 g/mol, XLogP of 3.52, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine is sourced from PubChem (CID 171793896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).