1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine

C18H21N5 — CID 117492414

IUPAC1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
SMILESCn1ncc(-c2ccc3c(c2)c2c(n3C)N3CCC2CC3)c1N
InChIInChI=1S/C18H21N5/c1-21-15-4-3-12(14-10-20-22(2)17(14)19)9-13(15)16-11-5-7-23(8-6-11)18(16)21/h3-4,9-11H,5-8,19H2,1-2H3
InChIKeyZARQIJOSJNCLAZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.86
Rot. Bonds1

About 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine

1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine (PubChem CID 117492414) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
PubChem CID117492414
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
SMILESCn1ncc(-c2ccc3c(c2)c2c(n3C)N3CCC2CC3)c1N
InChIInChI=1S/C18H21N5/c1-21-15-4-3-12(14-10-20-22(2)17(14)19)9-13(15)16-11-5-7-23(8-6-11)18(16)21/h3-4,9-11H,5-8,19H2,1-2H3
InChIKeyZARQIJOSJNCLAZ-UHFFFAOYSA-N
XLogP2.86
TPSA52.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine 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

4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine
CID 117451861
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 117451851
1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
CID 117453952
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
CID 117358254
4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117365796

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine (CID 117492414) is 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine is Cn1ncc(-c2ccc3c(c2)c2c(n3C)N3CCC2CC3)c1N.
What is the InChIKey of 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine?
The InChIKey is ZARQIJOSJNCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-21-15-4-3-12(14-10-20-22(2)17(14)19)9-13(15)16-11-5-7-23(8-6-11)18(16)21/h3-4,9-11H,5-8,19H2,1-2H3.
What are the key properties of 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine?
1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine has a molecular weight of 307.40 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine is sourced from PubChem (CID 117492414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).