N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

C16H18N4 — CID 22915279

IUPACN,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCN(C)C1Cc2c[nH]c3ccc(-c4cn[nH]c4)c(c23)C1
InChIInChI=1S/C16H18N4/c1-20(2)12-5-10-7-17-15-4-3-13(11-8-18-19-9-11)14(6-12)16(10)15/h3-4,7-9,12,17H,5-6H2,1-2H3,(H,18,19)
InChIKeyIPNDYAWKQOVUSS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds2

About N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (PubChem CID 22915279) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
PubChem CID22915279
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCN(C)C1Cc2c[nH]c3ccc(-c4cn[nH]c4)c(c23)C1
InChIInChI=1S/C16H18N4/c1-20(2)12-5-10-7-17-15-4-3-13(11-8-18-19-9-11)14(6-12)16(10)15/h3-4,7-9,12,17H,5-6H2,1-2H3,(H,18,19)
InChIKeyIPNDYAWKQOVUSS-UHFFFAOYSA-N
XLogP2.59
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
CID 13356525
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
CID 23358101
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
4-[methyl(propan-2-yl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358087
6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 11138151
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
(NE)-N-[[11-(dimethylamino)-9-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-7-yl]methylidene]hydroxylamine
CID 22567449
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
CID 159456640

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The IUPAC name of N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (CID 22915279) is N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The canonical SMILES for N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is CN(C)C1Cc2c[nH]c3ccc(-c4cn[nH]c4)c(c23)C1.
What is the InChIKey of N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The InChIKey is IPNDYAWKQOVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20(2)12-5-10-7-17-15-4-3-13(11-8-18-19-9-11)14(6-12)16(10)15/h3-4,7-9,12,17H,5-6H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine has a molecular weight of 266.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is sourced from PubChem (CID 22915279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).