N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C12H20N4 — CID 106044830

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCc1c(CNC2=NCCCCC2)cnn1C
InChIInChI=1S/C12H20N4/c1-10-11(9-15-16(10)2)8-14-12-6-4-3-5-7-13-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyFHFCHCFHWGHPMZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.79
Rot. Bonds2

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 106044830) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID106044830
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCc1c(CNC2=NCCCCC2)cnn1C
InChIInChI=1S/C12H20N4/c1-10-11(9-15-16(10)2)8-14-12-6-4-3-5-7-13-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyFHFCHCFHWGHPMZ-UHFFFAOYSA-N
XLogP1.79
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 106044830) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is Cc1c(CNC2=NCCCCC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is FHFCHCFHWGHPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-11(9-15-16(10)2)8-14-12-6-4-3-5-7-13-12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 220.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 106044830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).