1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile

C16H18N4 — CID 63756476

IUPAC1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC2CCCc3ccccc32)c1C#N
InChIInChI=1S/C16H18N4/c1-11-14(10-17)16(20(2)19-11)18-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,15,18H,5,7,9H2,1-2H3
InChIKeyLHNDOYNJNBTXAD-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.09
Rot. Bonds2

About 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile

1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile (PubChem CID 63756476) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
PubChem CID63756476
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC2CCCc3ccccc32)c1C#N
InChIInChI=1S/C16H18N4/c1-11-14(10-17)16(20(2)19-11)18-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,15,18H,5,7,9H2,1-2H3
InChIKeyLHNDOYNJNBTXAD-UHFFFAOYSA-N
XLogP3.09
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
CID 43204439
1,3-dimethyl-2,4-dioxo-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017645
1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017646
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
2-[3,5-dimethyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pyrazol-1-yl]acetonitrile
CID 167963371
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
CID 127034668
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
CID 75792227
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile (CID 63756476) is 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile is Cc1nn(C)c(NC2CCCc3ccccc32)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile?
The InChIKey is LHNDOYNJNBTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-14(10-17)16(20(2)19-11)18-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,15,18H,5,7,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 63756476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).