5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine

C18H25N5 — CID 154571202

IUPAC5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2CCc3[nH]nc(C4CC4)c3CC2)cn1
InChIInChI=1S/C18H25N5/c1-22(2)17-6-3-13(11-19-17)12-23-9-7-15-16(8-10-23)20-21-18(15)14-4-5-14/h3,6,11,14H,4-5,7-10,12H2,1-2H3,(H,20,21)
InChIKeyLVQJPHGAZSPESJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.35
Rot. Bonds4

About 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine

5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 154571202) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
PubChem CID154571202
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2CCc3[nH]nc(C4CC4)c3CC2)cn1
InChIInChI=1S/C18H25N5/c1-22(2)17-6-3-13(11-19-17)12-23-9-7-15-16(8-10-23)20-21-18(15)14-4-5-14/h3,6,11,14H,4-5,7-10,12H2,1-2H3,(H,20,21)
InChIKeyLVQJPHGAZSPESJ-UHFFFAOYSA-N
XLogP2.35
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine (CID 154571202) is 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CN2CCc3[nH]nc(C4CC4)c3CC2)cn1.
What is the InChIKey of 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is LVQJPHGAZSPESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-22(2)17-6-3-13(11-19-17)12-23-9-7-15-16(8-10-23)20-21-18(15)14-4-5-14/h3,6,11,14H,4-5,7-10,12H2,1-2H3,(H,20,21).
What are the key properties of 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine?
5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 154571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).