1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine

C19H25N5 — CID 131695390

IUPAC1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCn2nccc2CN1Cc1cccc2[nH]ccc12
InChIInChI=1S/C19H25N5/c1-22(2)13-16-8-11-24-17(6-10-21-24)14-23(16)12-15-4-3-5-19-18(15)7-9-20-19/h3-7,9-10,16,20H,8,11-14H2,1-2H3
InChIKeyGLNWAKSXWRKWSM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.70
Rot. Bonds4

About 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine

1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine (PubChem CID 131695390) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
PubChem CID131695390
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCn2nccc2CN1Cc1cccc2[nH]ccc12
InChIInChI=1S/C19H25N5/c1-22(2)13-16-8-11-24-17(6-10-21-24)14-23(16)12-15-4-3-5-19-18(15)7-9-20-19/h3-7,9-10,16,20H,8,11-14H2,1-2H3
InChIKeyGLNWAKSXWRKWSM-UHFFFAOYSA-N
XLogP2.70
TPSA40.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine (CID 131695390) is 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine is CN(C)CC1CCn2nccc2CN1Cc1cccc2[nH]ccc12.
What is the InChIKey of 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is GLNWAKSXWRKWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-22(2)13-16-8-11-24-17(6-10-21-24)14-23(16)12-15-4-3-5-19-18(15)7-9-20-19/h3-7,9-10,16,20H,8,11-14H2,1-2H3.
What are the key properties of 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 323.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131695390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).